data_1wie_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 1wie _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 ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' A' ' 51' ' ' TYR . 5.5 p -119.12 153.25 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -120.75 140.39 51.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.634 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.532 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 1.3 tp -97.65 118.44 34.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.498 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 66.7 m -118.77 158.9 24.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.551 HG22 ' CD1' ' A' ' 47' ' ' TYR . 4.4 p -124.5 108.78 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -35.86 123.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.488 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.9 ttt180 -83.53 -27.74 29.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.065 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 31.5 m-85 -150.8 124.95 9.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.1 p -44.19 121.15 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 27' ' ' ASN . 22.6 t80 -126.93 152.02 47.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.405 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -146.8 113.87 4.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -30.5 7.06 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.449 1.762 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.62 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.6 m-85 -87.21 30.95 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.97 -15.75 12.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.69 -175.35 19.07 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.03 -0.71 10.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -39.71 118.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.9 -5.48 53.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.496 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -136.93 60.58 30.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.62 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.5 Cg_endo -74.98 -34.03 4.16 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.517 1.799 . . . . 0.0 111.047 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.0 pt-20 -61.99 -28.59 69.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -57.47 -48.53 78.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -81.24 -172.53 3.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.459 ' CD1' ' O ' ' A' ' 62' ' ' GLY . 12.9 mt -134.59 141.48 39.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 94.11 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.774 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.81 146.63 51.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.493 ' O ' ' C ' ' A' ' 44' ' ' ALA . 44.0 m -131.55 104.29 6.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -33.78 117.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.53 -43.73 1.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.4 mtmt -58.9 163.91 3.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.551 ' CD1' HG22 ' A' ' 21' ' ' VAL . 25.1 m-85 -123.1 164.4 18.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.82 162.69 41.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' GLU . 49.4 m-85 -115.28 107.82 15.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.575 HG21 ' CD1' ' A' ' 60' ' ' TYR . 1.5 p -98.03 113.88 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 92.9 m-85 -80.03 142.1 35.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.18 -130.9 11.71 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.85 -167.24 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.798 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.48 142.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -91.66 174.05 7.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.072 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.74 -26.71 67.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.18 -31.63 19.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 112.55 36.92 1.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -126.63 166.49 17.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.987 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.575 ' CD1' HG21 ' A' ' 50' ' ' VAL . 3.7 m-85 -110.32 128.32 55.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.436 ' N ' HG23 ' A' ' 50' ' ' VAL . 51.6 mt-10 -75.27 56.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . -60.67 141.86 48.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' TYR . 33.8 tt0 -113.24 97.29 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.736 . . . . 0.0 110.258 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.436 ' HB2' ' CB ' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -41.47 153.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.27 -17.26 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -84.29 -11.82 55.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.73 -3.11 36.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.436 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -60.82 123.22 16.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.778 . . . . 0.0 110.283 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -112.39 121.94 46.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -168.67 -177.84 39.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 82.6 mt -70.74 163.27 27.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.567 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 70.6 t -158.06 125.06 2.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 130.48 13.29 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.549 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 32.5 t -70.52 -6.59 37.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 1.2 t30 -90.43 -2.98 57.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.401 ' C ' HG13 ' A' ' 77' ' ' VAL . 8.1 m-85 -127.97 8.65 6.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.567 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 3.3 m -129.25 144.62 37.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -123.99 107.41 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.498 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 33.8 m-85 -50.18 88.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.532 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 1.6 p . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.646 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 2.1 t -82.35 129.87 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 52' ' ' GLY . 23.5 m-70 -119.25 108.64 14.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.523 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 6.0 tp -68.14 119.26 12.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.623 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 83.0 m -123.08 154.85 38.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.289 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.571 HG23 ' CD1' ' A' ' 47' ' ' TYR . 3.1 p -120.55 114.77 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.5 130.41 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.488 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 4.4 ttt180 -88.64 -27.76 21.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 30.2 m-85 -151.0 128.49 11.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.55 118.82 2.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.035 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -128.15 146.11 50.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.07 116.26 8.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.411 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -74.99 -30.74 6.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.603 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 46.2 m-85 -84.67 29.2 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 30' ' ' ASP . 4.6 t0 -110.7 -28.01 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.25 -178.84 28.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.98 0.39 8.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.439 1.757 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -37.27 121.91 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.07 -5.0 55.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.507 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -138.63 59.69 17.48 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.603 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -75.0 -34.64 3.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.485 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 1.7 pt-20 -61.3 -30.64 70.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -57.17 -47.76 80.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.06 -174.45 4.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.8 mt -133.82 142.69 44.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.87 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.454 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 9.9 mt -68.2 152.52 45.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 44' ' ' ALA . 27.7 m -140.93 103.69 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.72 116.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.52 -46.64 1.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -53.73 166.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.571 ' CD1' HG23 ' A' ' 21' ' ' VAL . 33.1 m-85 -128.54 163.99 23.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.82 161.85 38.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.9 m-85 -112.35 108.97 18.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.579 HG22 ' CD1' ' A' ' 60' ' ' TYR . 1.4 p -100.04 117.65 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.646 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 24.1 m-85 -83.24 143.01 30.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 18' ' ' HIS . . . 67.56 -153.89 52.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -119.0 -174.32 2.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.0 mtm -44.54 146.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.21 -164.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.54 -26.62 55.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -86.79 -27.41 23.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.67 45.7 1.38 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -132.14 161.92 32.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.579 ' CD1' HG22 ' A' ' 50' ' ' VAL . 5.0 m-85 -106.55 132.23 52.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.424 ' N ' HG21 ' A' ' 50' ' ' VAL . 74.2 mt-10 -78.9 52.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.76 145.64 23.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' TYR . 44.0 tt0 -117.56 94.69 4.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.406 ' HB2' ' CB ' ' A' ' 68' ' ' GLN . 0.3 OUTLIER -39.74 146.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.0 mt -55.43 -22.54 20.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -77.11 -28.88 54.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.88 -5.4 8.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.426 1.079 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.406 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 1.2 tt0 -57.53 121.8 11.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -111.04 111.19 22.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -155.42 -173.91 24.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.486 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 93.8 mt -75.74 163.23 27.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 73.0 t -157.23 122.98 2.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 42' ' ' LEU . 18.4 Cg_endo -74.97 127.41 10.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.574 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 31.1 t -66.68 -10.57 47.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -86.79 -0.09 55.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -131.29 16.98 4.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.478 HG12 ' CG1' ' A' ' 72' ' ' VAL . 4.9 m -140.18 150.8 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -129.07 107.55 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.623 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.9 m-85 -47.89 91.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.523 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 1.1 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 51' ' ' TYR . 4.2 p -121.07 163.65 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -136.79 136.1 38.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.607 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.533 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 2.1 tp -92.17 118.56 30.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.598 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 35.3 m -118.75 149.22 41.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.564 HG21 ' CD2' ' A' ' 47' ' ' TYR . 5.7 p -114.14 110.0 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -38.46 127.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.468 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 15.1 ttt180 -86.15 -30.54 22.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.468 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 27.2 m-85 -148.89 133.62 17.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.75 119.96 5.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.045 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -128.59 141.96 51.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.74 115.12 12.25 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.65 8.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.1 m-85 -87.63 31.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.94 -18.14 12.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.14 -176.29 20.9 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 -0.86 10.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -39.38 120.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.71 -4.43 54.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.269 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.496 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -137.98 60.44 23.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.614 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -74.99 -33.11 4.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.782 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.9 pt-20 -62.37 -28.9 70.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -57.31 -47.09 82.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -82.86 -172.98 4.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 mt -134.57 142.94 44.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 92.29 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.479 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 8.8 mt -64.99 148.56 51.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.479 ' O ' ' C ' ' A' ' 44' ' ' ALA . 23.7 m -136.57 103.78 5.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.75 118.06 0.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.506 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 104.08 -43.82 1.6 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 43' ' ' THR . 15.3 mmtt -57.72 161.75 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.564 ' CD2' HG21 ' A' ' 21' ' ' VAL . 21.6 m-85 -119.67 171.52 8.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.412 HD13 ' CG1' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -164.83 156.97 15.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 63' ' ' GLU . 41.3 m-85 -110.06 109.66 20.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.562 HG21 ' CD1' ' A' ' 60' ' ' TYR . 1.4 p -97.26 109.37 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.419 ' N ' HG23 ' A' ' 17' ' ' VAL . 80.8 m-85 -76.48 144.94 39.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.82 -137.93 37.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -129.86 -175.25 3.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.505 ' HE3' ' CZ ' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -44.21 159.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -95.9 173.23 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.71 -12.79 50.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -92.34 -30.95 15.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.28 37.27 1.66 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -132.7 164.57 26.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 0.793 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.562 ' CD1' HG21 ' A' ' 50' ' ' VAL . 2.7 m-85 -104.96 127.4 52.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.445 ' N ' HG23 ' A' ' 50' ' ' VAL . 58.9 mt-10 -69.99 60.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.99 143.14 47.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TYR . 34.8 tt0 -115.94 96.85 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.79 148.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.4 mt -58.09 -17.81 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.45 -15.58 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.21 -3.73 31.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -60.24 121.2 11.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 110.34 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -107.9 113.43 26.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -158.59 179.98 33.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ALA . 69.5 mt -70.07 160.04 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.492 ' CG1' HG11 ' A' ' 77' ' ' VAL . 61.7 t -154.08 119.99 2.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.479 ' HD2' ' CD1' ' A' ' 42' ' ' LEU . 18.4 Cg_endo -75.0 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.56 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 59.1 p -54.36 -20.73 7.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -72.64 -5.17 35.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.405 ' C ' HG13 ' A' ' 77' ' ' VAL . 5.1 m-85 -129.28 19.11 5.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.492 HG11 ' CG1' ' A' ' 72' ' ' VAL . 1.4 m -137.27 153.81 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -134.67 106.54 7.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.598 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.1 m-85 -47.02 92.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.533 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 2.1 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 51' ' ' TYR . 4.6 p -122.96 147.59 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -115.33 137.21 52.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.568 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 tp -95.24 109.24 21.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.615 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 33.8 m -109.27 161.46 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.329 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.581 HG22 ' CD1' ' A' ' 47' ' ' TYR . 5.3 p -126.01 108.3 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -36.12 123.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.44 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 20.5 ttt180 -83.82 -31.05 26.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.44 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 26.9 m-85 -146.63 128.52 15.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.3 p -49.22 119.46 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -130.04 142.69 50.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.42 116.75 11.1 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.42 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.4 Cg_endo -74.96 -31.36 6.34 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 45.5 m-85 -84.65 29.51 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -111.82 -27.12 8.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.62 -178.99 28.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.98 -0.13 9.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.8 m-20 -37.47 121.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.15 -6.18 55.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.498 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -137.52 60.3 25.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.592 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.95 -35.36 3.23 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.494 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 1.5 pt-20 -60.49 -31.1 70.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -56.02 -48.33 76.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -80.5 -175.22 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 62' ' ' GLY . 13.1 mt -132.72 142.85 46.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 95.44 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.47 145.46 49.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 44' ' ' ALA . 20.4 m -130.27 103.51 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.422 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.02 117.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.17 -43.51 1.65 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' THR . 36.7 mmtt -58.55 162.55 3.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.581 ' CD1' HG22 ' A' ' 21' ' ' VAL . 6.3 m-85 -122.59 156.22 34.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' CD1' ' HA3' ' A' ' 62' ' ' GLY . 0.4 OUTLIER -145.16 163.95 32.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' GLU . 42.4 m-85 -116.08 107.69 15.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.562 HG22 ' CD1' ' A' ' 60' ' ' TYR . 1.5 p -97.18 112.33 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 90.0 m-85 -78.85 140.03 38.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.75 178.5 7.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -81.44 -173.03 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.805 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -40.86 156.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.24 -175.17 5.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -61.6 -34.31 75.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.02 -28.17 20.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.3 -8.19 7.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -73.68 163.68 27.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.562 ' CD1' HG22 ' A' ' 50' ' ' VAL . 5.2 m-85 -108.81 131.1 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.438 ' N ' HG21 ' A' ' 50' ' ' VAL . 52.6 mt-10 -76.15 52.85 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . -55.56 142.31 37.28 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' TYR . 41.5 tt0 -115.43 99.03 7.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.77 . . . . 0.0 110.277 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.45 ' HB2' ' CB ' ' A' ' 68' ' ' GLN . 0.3 OUTLIER -40.16 153.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.8 -14.81 55.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -86.71 -19.77 28.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.84 -8.78 14.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.45 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -55.63 123.4 13.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -112.29 123.53 50.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -168.41 -174.8 37.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.487 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 84.5 mt -73.89 162.43 29.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.493 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 69.7 t -157.31 124.47 2.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.82 13.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.443 1.76 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.498 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 60.6 p -69.51 -7.37 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.37 0.84 57.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -132.3 13.74 4.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.493 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 4.4 m -135.27 138.12 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.62 107.36 14.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.615 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.3 m-85 -50.61 110.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.412 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 2.2 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.459 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 1.7 t -101.54 155.86 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 17' ' ' VAL . 18.0 m-70 -151.52 113.09 4.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.543 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 6.1 tp -79.09 117.66 20.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.608 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 51.7 m -121.03 148.43 44.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.507 HG21 ' CE1' ' A' ' 47' ' ' TYR . 4.5 p -118.18 118.87 59.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.37 129.96 13.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.427 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 41.0 ttt180 -88.94 -28.72 20.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.427 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 26.9 m-85 -148.96 129.56 14.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.76 121.71 6.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.405 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 10.7 t80 -133.55 144.71 49.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.99 118.44 11.12 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -30.57 6.99 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.445 1.761 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.618 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 4.0 m-85 -87.71 34.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -113.08 -26.99 8.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.68 -179.18 30.82 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.99 0.67 8.62 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.7 m-20 -36.6 151.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.44 -6.86 16.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.507 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -136.91 59.93 26.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.618 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -75.0 -33.48 4.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.1 pt-20 -62.09 -28.55 69.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 37' ' ' GLU . . . -58.51 -46.64 86.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.93 -172.19 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 mt -135.08 143.4 45.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.53 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 8.4 mt -65.21 149.43 49.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.504 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.6 m -140.3 103.46 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.504 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -32.46 114.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.353 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 107.07 -44.08 1.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' THR . 8.9 mttt -56.33 148.25 19.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.507 ' CE1' HG21 ' A' ' 21' ' ' VAL . 50.2 m-85 -105.8 170.78 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.08 158.13 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.525 ' CE1' HD11 ' A' ' 19' ' ' LEU . 59.1 m-85 -115.19 122.13 45.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.614 HG13 ' CD1' ' A' ' 60' ' ' TYR . 2.5 t -96.5 113.28 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.415 ' CE1' ' CG2' ' A' ' 17' ' ' VAL . 36.7 m-85 -87.0 87.51 7.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.3 -176.83 16.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -83.91 -170.25 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.797 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.92 157.73 14.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.78 173.11 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -56.11 -27.86 55.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.86 -19.09 25.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.8 25.91 7.82 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -102.67 160.03 14.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.614 ' CD1' HG13 ' A' ' 50' ' ' VAL . 4.0 m-85 -109.96 132.2 54.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.413 ' N ' HG12 ' A' ' 50' ' ' VAL . 61.2 mt-10 -79.4 61.0 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.84 144.27 48.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 49' ' ' TYR . 21.4 tt0 -115.19 89.55 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.757 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.42 ' HB2' ' CB ' ' A' ' 68' ' ' GLN . 1.0 OUTLIER -39.97 145.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 47' ' ' TYR . 5.5 mp -57.3 -17.88 14.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -82.92 -6.57 59.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.42 6.29 57.59 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.42 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -70.81 121.95 18.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -111.57 115.22 28.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -161.04 -178.76 35.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.421 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 83.7 mt -73.4 158.98 33.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.563 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 97.4 t -154.42 125.21 3.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 42' ' ' LEU . 18.5 Cg_endo -74.98 132.02 14.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.561 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 78.2 p -71.5 -4.37 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -91.77 -1.69 57.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.405 ' CE2' ' HD2' ' A' ' 26' ' ' TYR . 7.6 m-85 -130.37 9.16 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.563 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 3.6 m -129.21 156.65 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -136.31 108.71 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.359 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.608 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.6 m-85 -50.97 88.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.543 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 1.5 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.534 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.9 t -105.67 161.47 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 8.8 m-70 -147.41 113.32 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.58 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' A' ' 49' ' ' TYR . 6.2 tp -76.86 119.3 20.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.603 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 62.5 m -122.76 148.91 44.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.347 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.502 HG22 ' CD1' ' A' ' 47' ' ' TYR . 3.8 p -118.08 120.36 64.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.494 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -51.34 137.12 23.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.521 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 25.6 ttt180 -93.34 -31.84 14.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.521 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 30.6 m-85 -148.25 130.57 15.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.42 123.72 4.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.483 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 10.7 t80 -117.82 153.06 34.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.439 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -147.43 97.65 4.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -19.02 18.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.55 1.816 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 1.8 m-85 -97.39 30.47 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -108.56 -30.03 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.07 -177.57 33.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.03 0.83 8.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.807 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.8 m-20 -37.06 117.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -77.12 -2.4 34.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.48 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -137.19 60.74 29.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.632 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.99 -41.46 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -60.88 -24.17 65.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -58.71 -48.86 79.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -83.99 -174.81 5.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.8 mt -131.78 136.17 27.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 91.82 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.494 ' HB3' ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -60.67 177.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.65 ' O ' ' C ' ' A' ' 44' ' ' ALA . 6.1 m -160.79 89.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.65 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -17.81 115.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.453 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 103.29 -42.02 1.99 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -51.96 159.34 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.764 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.502 ' CD1' HG22 ' A' ' 21' ' ' VAL . 54.6 m-85 -123.59 148.67 46.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.42 165.78 26.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.55 ' CE1' HD12 ' A' ' 19' ' ' LEU . 60.6 m-85 -118.82 122.18 41.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.619 HG13 ' CD1' ' A' ' 60' ' ' TYR . 2.1 t -98.38 113.57 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 25.5 m-85 -89.49 98.49 11.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.22 -169.47 13.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -95.55 -172.5 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.434 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -50.09 158.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.4 172.3 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.43 -27.17 62.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -89.55 -17.85 27.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.74 27.87 8.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -110.32 168.2 9.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.619 ' CD1' HG13 ' A' ' 50' ' ' VAL . 3.2 m-85 -111.14 125.73 54.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -76.02 62.9 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.61 150.07 42.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 49' ' ' TYR . 29.8 tt0 -118.02 92.36 3.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -39.77 148.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.7 mt -55.88 -24.1 35.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -77.25 -22.82 51.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.51 1.81 21.46 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.36 124.23 20.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.298 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -109.85 111.29 22.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -154.82 176.87 32.4 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.495 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 74.6 mt -70.3 162.22 28.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.79 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.585 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 76.0 t -157.39 126.93 3.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.461 1.769 . . . . 0.0 111.048 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.465 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 59.5 p -71.78 -4.16 26.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 4.7 t30 -91.77 -9.77 42.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -119.88 5.75 10.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.585 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 3.0 m -125.98 157.43 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -138.47 106.99 5.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.603 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.9 m-85 -48.88 91.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.546 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 1.7 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 51' ' ' TYR . 5.6 p -114.91 153.91 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -126.05 131.06 52.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.63 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.535 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 1.1 tp -88.79 119.27 29.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.611 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 35.4 m -118.96 156.77 28.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 108.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.556 HG21 ' CE1' ' A' ' 47' ' ' TYR . 3.9 p -116.2 112.77 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -34.99 117.93 0.41 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -74.12 -50.72 18.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.56 ' CE1' ' HD2' ' A' ' 23' ' ' ARG . 56.2 m-85 -137.05 127.56 26.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 p -41.13 116.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.97 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -128.29 145.31 51.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.55 116.62 5.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.431 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.0 -29.15 8.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 42.2 m-85 -85.14 30.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.47 -25.22 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.58 177.35 23.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.481 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.02 1.56 7.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.481 ' C ' ' O ' ' A' ' 32' ' ' PRO . 3.0 m-20 -33.92 148.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' C ' ' HD3' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -100.0 -10.38 21.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.515 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -136.43 59.48 26.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.605 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -74.98 -33.59 4.49 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 3.4 pt-20 -61.94 -29.95 70.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -55.27 -48.32 74.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -82.16 -177.25 6.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.7 mt -130.27 141.75 43.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 92.87 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.442 HD12 ' CG1' ' A' ' 72' ' ' VAL . 14.8 mt -70.49 147.74 49.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.518 ' O ' ' C ' ' A' ' 44' ' ' ALA . 18.8 m -131.4 102.54 6.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.518 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -31.37 115.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.411 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.29 -42.97 1.78 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.06 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' THR . 32.1 mmtt -60.33 160.7 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.556 ' CE1' HG21 ' A' ' 21' ' ' VAL . 30.0 m-85 -117.07 173.11 6.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.92 155.13 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 63' ' ' GLU . 34.8 m-85 -107.27 108.86 20.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.531 ' CG2' ' HB3' ' A' ' 60' ' ' TYR . 1.3 p -96.25 106.06 17.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.438 ' N ' HG22 ' A' ' 17' ' ' VAL . 81.4 m-85 -72.12 140.6 48.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.29 -146.53 47.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -121.64 -177.15 3.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.409 ' HG2' ' N ' ' A' ' 59' ' ' PHE . 6.1 ttm -48.96 157.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.71 172.9 8.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.37 -13.94 23.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.73 -31.56 17.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.26 41.42 1.65 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.409 ' N ' ' HG2' ' A' ' 54' ' ' MET . 17.6 m-85 -135.08 164.41 27.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 110.982 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.543 ' CE2' ' HB3' ' A' ' 74' ' ' SER . 8.1 m-85 -104.94 137.91 41.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.436 ' N ' HG23 ' A' ' 50' ' ' VAL . 57.5 mt-10 -81.66 47.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -47.65 143.79 6.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' TYR . 24.6 tt0 -118.38 93.21 4.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -38.83 145.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.9 mt -54.69 -22.07 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -77.24 -24.4 51.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.96 -0.03 17.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -65.06 122.44 17.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -109.78 117.55 34.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.441 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -160.54 179.86 35.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.515 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 69.5 mt -69.71 162.89 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.534 ' CG1' HG12 ' A' ' 77' ' ' VAL . 53.4 t -158.76 122.64 2.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 129.9 12.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.543 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 80.2 p -66.62 -11.01 51.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.411 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 1.6 m-20 -87.12 -0.34 56.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.448 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 5.1 m-85 -131.93 30.14 4.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.534 HG12 ' CG1' ' A' ' 72' ' ' VAL . 17.2 m -154.86 155.23 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -134.27 107.34 7.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.248 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.611 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.7 m-85 -46.67 91.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.535 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 2.3 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttt . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 18' ' ' HIS . 1.4 t -104.85 161.2 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.451 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 23.8 m-70 -150.66 100.15 2.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.54 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 4.1 tp -71.84 119.24 15.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.561 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 75.2 m -124.23 156.5 36.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.529 HG21 ' CD2' ' A' ' 47' ' ' TYR . 4.0 p -124.4 118.6 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.32 131.48 16.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 6.4 ttt180 -87.95 -28.46 21.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 31.5 m-85 -150.82 131.23 13.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.65 118.91 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.402 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 15.9 t80 -129.15 142.03 51.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.22 117.1 11.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.03 -29.58 8.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.586 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 49.4 m-85 -85.74 29.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 9.0 t0 -111.94 -27.67 8.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.44 176.72 31.6 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 0.77 8.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.6 m-20 -36.14 151.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.41 -7.8 18.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.498 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -136.86 60.2 28.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.586 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.97 -33.67 4.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.773 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.481 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -61.66 -31.05 71.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -56.64 -48.0 78.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -80.36 -173.46 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 62' ' ' GLY . 12.6 mt -135.06 143.28 45.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 93.6 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.467 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 10.0 mt -66.52 152.84 44.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.487 ' O ' ' C ' ' A' ' 44' ' ' ALA . 53.1 m -140.49 103.02 4.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.27 114.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 107.6 -44.87 1.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' THR . 23.3 mttt -51.95 159.8 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.784 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.529 ' CD2' HG21 ' A' ' 21' ' ' VAL . 40.1 m-85 -124.62 146.78 48.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.72 -171.88 2.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -142.23 116.92 9.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.598 HG13 ' CD1' ' A' ' 60' ' ' TYR . 3.7 t -90.1 127.0 42.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -100.85 86.16 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 18' ' ' HIS . . . 126.71 -152.33 18.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -116.03 -155.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.402 ' O ' ' HG2' ' A' ' 54' ' ' MET . 15.5 ttp -108.27 108.51 19.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.6 19.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 1.8 pt-20 -111.44 40.72 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 3.4 t70 87.49 4.18 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.77 32.3 3.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -118.63 163.7 16.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 111.061 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.598 ' CD1' HG13 ' A' ' 50' ' ' VAL . 5.5 m-85 -121.57 124.97 45.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.422 ' N ' HG12 ' A' ' 50' ' ' VAL . 54.4 mt-10 -67.97 63.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . -71.46 137.27 25.85 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.478 ' OE1' ' CG ' ' A' ' 69' ' ' ARG . 12.2 tt0 -109.23 95.9 5.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLU . 0.9 OUTLIER -40.02 153.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.6 mt -62.17 -14.86 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.42 -11.98 50.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.02 -2.79 40.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -60.07 120.94 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.273 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.478 ' CG ' ' OE1' ' A' ' 63' ' ' GLU . 6.4 mtt180 -108.82 119.12 38.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.239 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -165.9 -175.18 36.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.502 ' CD2' ' OE1' ' A' ' 56' ' ' GLU . 84.1 mt -77.77 161.68 27.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.534 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 96.5 t -153.75 126.93 4.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' A' ' 42' ' ' LEU . 18.3 Cg_endo -74.97 129.68 12.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.576 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 41.7 t -70.38 -5.44 28.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -91.21 -0.38 57.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.404 ' C ' HG11 ' A' ' 77' ' ' VAL . 6.6 m-85 -131.34 9.35 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.534 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 3.4 m -128.47 156.07 40.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -137.27 106.79 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 48.0 m-85 -49.52 89.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.54 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 2.5 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.449 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 2.0 t -102.0 159.13 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 33.8 m-70 -147.41 98.8 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 80' ' ' VAL . 29.9 tp -72.0 107.7 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.603 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 59.9 m -114.06 151.12 32.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.334 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 45' ' ' GLY . 3.3 p -119.69 112.56 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.92 129.38 2.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 14.1 ttt180 -87.95 -29.95 20.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 32.4 m-85 -149.41 130.05 14.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.81 114.9 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.407 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 27.5 t80 -125.04 142.43 51.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.46 117.16 12.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -29.93 7.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.624 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.3 m-85 -87.12 32.42 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -111.6 -22.64 11.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.36 -175.08 22.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.94 0.05 9.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -38.8 118.79 0.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -78.96 -5.9 54.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.5 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -137.3 60.33 26.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.624 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.99 -32.94 4.97 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.517 1.798 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.7 pt-20 -62.29 -27.91 69.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -57.34 -49.12 77.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -81.4 -172.48 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.443 ' HG ' ' CA ' ' A' ' 70' ' ' GLY . 12.5 mt -134.02 142.13 42.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.58 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.479 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 10.3 mt -65.11 154.55 37.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.473 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.4 m -142.37 103.63 4.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.092 . . . . 0.0 110.439 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -35.17 115.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.473 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 107.45 -45.52 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -54.47 160.85 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.445 ' CD1' HG21 ' A' ' 21' ' ' VAL . 29.3 m-85 -119.32 156.23 30.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.06 159.93 43.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.421 ' CE1' HD11 ' A' ' 19' ' ' LEU . 51.7 m-85 -117.99 117.77 30.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.588 HG11 ' CD1' ' A' ' 60' ' ' TYR . 3.1 t -95.31 117.38 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.423 ' CE1' HG23 ' A' ' 17' ' ' VAL . 37.9 m-85 -90.94 91.2 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.44 ' O ' ' CD2' ' A' ' 18' ' ' HIS . . . 116.62 -164.57 12.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 111.049 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -100.9 -174.29 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.442 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -48.44 156.18 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -90.97 172.97 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -56.37 -30.03 62.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.77 -20.03 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.81 33.93 4.23 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -114.05 162.97 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 0.801 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.588 ' CD1' HG11 ' A' ' 50' ' ' VAL . 5.3 m-85 -109.61 130.37 55.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.414 ' N ' HG13 ' A' ' 50' ' ' VAL . 87.3 mt-10 -78.43 56.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.35 144.25 45.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.4 OUTLIER -112.75 92.78 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.759 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -39.94 146.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 41.7 mt -55.89 -19.25 11.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -18.76 41.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.84 -3.2 25.87 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.403 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 1.6 tt0 -60.19 125.74 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -116.09 111.58 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.443 ' CA ' ' HG ' ' A' ' 40' ' ' LEU . . . -156.55 179.4 32.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.135 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' ALA . 55.9 mt -71.9 146.0 48.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 60' ' ' TYR . 75.7 t -139.08 126.17 12.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.479 ' HD2' ' CD1' ' A' ' 42' ' ' LEU . 18.2 Cg_endo -74.96 128.21 11.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.564 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 75.4 p -68.69 -7.42 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -90.69 0.87 57.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.407 ' CE2' ' HD2' ' A' ' 26' ' ' TYR . 6.3 m-85 -131.97 15.23 4.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.44 HG13 ' CG1' ' A' ' 72' ' ' VAL . 4.2 m -138.11 152.66 26.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.09 107.3 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.603 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.2 m-85 -49.1 104.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.458 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 3.9 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.681 ' CG1' ' CE2' ' A' ' 51' ' ' TYR . 27.6 m -84.89 163.82 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.536 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 79.3 m-70 -133.03 80.34 1.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' HIS . 9.4 tp -38.59 123.4 1.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.618 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 91.3 m -125.34 179.7 4.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.582 HG23 ' CE1' ' A' ' 47' ' ' TYR . 3.5 p -142.35 104.76 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -38.26 127.06 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.521 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 40.9 ttt180 -85.27 -27.09 26.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.521 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 27.7 m-85 -152.44 129.92 11.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.83 116.46 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.4 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 25.6 t80 -126.44 141.26 51.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.06 117.1 11.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.14 9.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 2.8 m-85 -87.35 32.02 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.66 -21.04 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.04 -176.09 22.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.01 -0.5 10.05 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.504 1.791 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -38.85 119.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -79.31 -4.9 53.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.502 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -137.57 60.25 24.7 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.632 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.97 -32.05 5.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -63.67 -26.4 68.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -57.74 -48.14 80.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -84.41 -176.78 6.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.508 ' CD2' ' NE2' ' A' ' 68' ' ' GLN . 9.2 mt -129.38 141.98 43.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 92.81 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -67.48 146.07 54.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 44' ' ' ALA . 20.6 m -132.52 105.39 7.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -32.27 117.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.499 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 102.93 -46.8 1.17 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.421 1.076 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' THR . 51.7 mmtt -55.66 155.36 5.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.582 ' CE1' HG23 ' A' ' 21' ' ' VAL . 11.3 m-85 -115.13 172.52 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.73 160.03 24.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 63' ' ' GLU . 39.6 m-85 -110.71 111.36 22.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.595 HG23 ' CD1' ' A' ' 60' ' ' TYR . 1.2 p -103.66 112.65 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.681 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 91.4 m-85 -78.21 134.55 37.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.13 172.48 10.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.36 -162.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.2 ptp -58.85 152.15 19.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.55 -161.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.365 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.2 -27.98 47.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.54 -23.51 24.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.3 11.52 29.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -96.84 160.27 14.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' HG23 ' A' ' 50' ' ' VAL . 4.1 m-85 -108.13 136.74 47.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 50' ' ' VAL . 78.8 mt-10 -80.89 51.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.257 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.9 148.29 23.8 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.6 tt0 -122.52 95.42 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -38.13 147.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.5 mt -57.22 -21.26 32.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.16 -20.07 61.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.56 5.96 27.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.508 ' NE2' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -62.99 170.04 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -150.86 109.49 3.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -158.83 179.41 34.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.5 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 88.3 mt -71.66 163.18 28.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.52 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 75.1 t -157.62 124.43 2.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 133.38 16.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.569 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 28.9 t -71.67 -4.12 25.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 4.6 t30 -92.11 -8.02 46.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.4 ' CE2' ' HD2' ' A' ' 26' ' ' TYR . 11.0 m-85 -122.94 12.85 9.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.52 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 5.1 m -134.5 144.59 34.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.46 106.99 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.618 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.2 m-85 -47.56 123.83 6.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.555 ' CG1' ' CE2' ' A' ' 51' ' ' TYR . 24.1 m -87.81 165.41 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -133.8 85.06 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.582 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.504 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 8.6 tp -40.52 114.41 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.553 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 69.4 m -120.65 158.8 26.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.512 1.132 . . . . 0.0 108.3 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.593 HG22 ' CE1' ' A' ' 47' ' ' TYR . 3.8 p -126.23 110.33 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -40.32 131.61 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.493 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 19.3 ttt180 -86.54 -25.97 24.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.493 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 32.1 m-85 -154.82 131.99 11.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.4 130.64 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.493 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 11.0 t80 -126.37 154.2 43.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 111.033 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.419 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -148.35 96.73 3.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.76 11.52 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.656 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 2.4 m-85 -91.08 26.9 2.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -110.37 -28.24 8.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.83 -176.03 35.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.135 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.96 -0.07 9.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.552 1.817 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -39.17 116.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -79.25 -3.85 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.494 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -137.14 60.52 28.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.656 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -74.98 -37.14 2.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 3.0 pt-20 -61.71 -30.62 70.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -56.04 -43.14 77.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -90.24 -177.58 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mt -129.26 137.16 30.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.54 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -61.05 170.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.579 ' O ' ' C ' ' A' ' 44' ' ' ALA . 16.8 m -157.6 94.04 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.408 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.579 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -25.05 115.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.5 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.28 -48.11 1.0 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' THR . 29.8 mmtt -50.25 162.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.593 ' CE1' HG22 ' A' ' 21' ' ' VAL . 36.4 m-85 -125.71 158.19 35.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.19 167.89 27.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 63' ' ' GLU . 52.5 m-85 -118.9 115.38 24.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.57 HG21 ' CD1' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -105.9 112.53 39.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.555 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 84.0 m-85 -77.76 135.19 37.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.4 175.9 18.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -79.86 -166.79 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -44.51 154.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 111.039 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' PHE . 23.7 t0 -87.19 170.31 11.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -46.69 -39.56 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.5 -26.18 28.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.35 -14.56 8.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' ASP . 11.0 m-85 -69.26 164.6 22.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.57 ' CD1' HG21 ' A' ' 50' ' ' VAL . 4.1 m-85 -111.3 132.12 54.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.427 ' N ' HG23 ' A' ' 50' ' ' VAL . 49.9 mt-10 -77.31 60.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.47 155.45 36.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' TYR . 35.1 tt0 -128.71 95.94 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.64 147.27 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.92 -17.62 17.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -80.88 -26.75 36.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.75 -2.74 11.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.76 122.46 15.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -110.79 116.31 31.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -160.5 -179.97 35.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.499 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 89.5 mt -70.77 162.43 29.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.596 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 77.3 t -157.58 123.86 2.51 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.18 17.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.555 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 25.5 t -73.61 -0.92 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 4.5 t30 -93.69 -9.13 38.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -122.4 6.95 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.596 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 3.0 m -126.84 147.29 31.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.28 105.95 8.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 54.0 m-85 -48.66 103.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.504 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.679 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 2.5 t -105.09 161.83 4.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.468 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 12.0 m-70 -152.51 101.25 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.574 HD12 ' CE1' ' A' ' 49' ' ' TYR . 5.5 tp -65.35 118.05 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.601 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 53.2 m -118.93 152.59 36.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.262 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.536 HG22 ' CD1' ' A' ' 47' ' ' TYR . 4.2 p -120.61 125.03 73.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.92 126.83 19.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.532 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 40.0 ttt180 -85.63 -27.41 25.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 30.7 m-85 -153.71 128.94 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.09 127.26 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -140.58 140.61 35.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.34 116.8 12.14 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.39 6.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.612 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 4.2 m-85 -86.34 31.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.05 -16.53 12.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.2 -174.92 19.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.97 -1.21 10.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -39.43 118.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.86 -5.06 52.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.499 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -137.52 60.33 25.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.612 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.99 -33.24 4.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.772 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.4 pt-20 -62.25 -28.49 69.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -58.15 -45.63 87.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -83.54 -171.1 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.346 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 68' ' ' GLN . 11.7 mt -135.63 141.5 37.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 91.84 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.768 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.479 ' CD2' HG13 ' A' ' 72' ' ' VAL . 14.0 mt -66.24 153.16 43.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.616 ' O ' ' C ' ' A' ' 44' ' ' ALA . 6.7 m -143.22 94.7 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.616 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -22.13 113.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.95 -42.76 1.84 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 11.8 mttm -49.88 169.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.536 ' CD1' HG22 ' A' ' 21' ' ' VAL . 63.2 m-85 -130.05 163.54 26.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.81 160.25 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.574 ' CE1' HD12 ' A' ' 19' ' ' LEU . 50.8 m-85 -114.9 122.4 46.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.595 HG11 ' CD1' ' A' ' 60' ' ' TYR . 1.7 t -97.55 108.06 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.679 ' CE1' ' CG2' ' A' ' 17' ' ' VAL . 75.0 m-85 -87.0 112.77 22.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.68 -107.67 2.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -176.42 -173.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 0.741 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.3 mtm -42.24 148.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -102.59 -174.54 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 7.6 mt-10 -78.17 79.75 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 2.9 m-20 161.72 -37.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.09 49.49 0.41 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -133.45 159.85 39.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' HG11 ' A' ' 50' ' ' VAL . 1.8 m-85 -107.22 138.21 43.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 50' ' ' VAL . 86.2 mt-10 -82.17 60.27 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.03 156.02 29.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -134.25 101.92 5.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 0.734 . . . . 0.0 110.343 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -44.75 148.42 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' A' ' 47' ' ' TYR . 5.6 mp -57.32 -16.9 9.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.6 -20.84 28.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.73 -27.31 5.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 64' ' ' LEU . 1.5 tt0 -54.21 115.32 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 3.1 ptp85 -118.41 146.19 44.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -169.58 -161.74 20.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.145 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' ALA . 52.9 mt -81.06 150.13 28.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.479 HG13 ' CD2' ' A' ' 42' ' ' LEU . 21.5 t -153.08 130.18 5.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 131.31 14.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.5 p -69.17 -6.28 27.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.416 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 1.1 m-20 -92.29 0.41 57.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 75' ' ' ASN . 5.7 m-85 -132.86 24.46 4.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.459 HG12 ' CG1' ' A' ' 72' ' ' VAL . 9.4 m -144.67 160.31 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -142.57 107.15 4.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.601 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.1 m-85 -49.34 90.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.528 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 1.3 p . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.657 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.6 t -93.25 159.71 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 26.4 m-70 -148.97 108.72 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.451 ' HG ' ' CG2' ' A' ' 80' ' ' VAL . 9.0 tp -71.42 125.74 27.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.603 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 85.1 m -126.23 173.06 9.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.584 HG21 ' CD2' ' A' ' 47' ' ' TYR . 2.6 p -142.69 105.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -38.91 119.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.59 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 13.4 ttt180 -79.29 -25.71 42.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 31.7 m-85 -154.48 123.44 6.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 t -45.1 136.02 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 27' ' ' ASN . 6.0 t80 -147.57 148.62 31.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.468 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -138.68 119.06 9.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.62 5.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.448 1.762 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.625 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.9 m-85 -86.35 30.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.53 -13.43 12.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.42 -174.16 17.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.95 -0.08 9.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 m-20 -39.43 120.05 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -81.03 -6.09 58.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.495 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -138.48 60.37 20.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.625 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.89 -32.93 5.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 3.1 pt-20 -62.29 -27.51 69.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 37' ' ' GLU . . . -60.86 -45.42 94.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -83.69 -173.85 4.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.7 mt -132.88 143.38 48.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 92.24 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.402 HD21 ' CG1' ' A' ' 72' ' ' VAL . 12.8 mt -64.74 155.59 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 44' ' ' ALA . 68.5 m -144.38 105.12 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.437 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.497 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -33.18 115.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.501 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.38 -48.01 1.01 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' CG ' ' HB ' ' A' ' 43' ' ' THR . 20.2 mttt -48.39 151.56 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.584 ' CD2' HG21 ' A' ' 21' ' ' VAL . 54.7 m-85 -115.48 149.03 38.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.81 170.29 15.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' GLU . 50.1 m-85 -123.9 121.56 35.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.586 HG13 ' CD1' ' A' ' 60' ' ' TYR . 2.6 t -95.29 117.3 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.657 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 21.7 m-85 -95.78 103.66 15.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.82 -131.41 10.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.2 -169.25 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.786 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.35 127.72 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -76.97 169.01 19.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.3 -15.94 18.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -98.43 -16.42 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.31 44.48 3.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -134.12 176.61 8.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 74' ' ' SER . 4.8 m-85 -111.02 132.34 54.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -80.39 60.17 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.72 143.13 45.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.564 1.165 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' TYR . 25.5 tt0 -115.73 91.24 3.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 0.778 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -37.85 144.73 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.3 mt -51.75 -23.85 5.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -33.13 59.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 128.53 -4.8 6.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.4 123.04 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.284 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -110.46 110.22 20.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.96 -177.18 25.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.586 1.178 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.502 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 76.5 mt -75.75 162.28 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.552 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 72.6 t -157.64 127.52 3.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 134.21 17.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.587 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 82.4 p -74.52 -2.29 25.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.416 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -96.33 1.9 52.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 8.0 m-85 -135.05 13.31 3.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.552 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 8.2 m -137.79 145.58 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -128.42 129.22 45.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.603 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.9 m-85 -66.6 54.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.554 ' C ' ' O ' ' A' ' 79' ' ' PHE . 2.2 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mttt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.557 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.4 t -102.54 158.98 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 9.1 m-70 -146.89 108.0 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.621 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.529 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 6.3 tp -70.72 120.87 16.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.489 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 77.8 m -123.31 156.74 34.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 108.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 45' ' ' GLY . 4.2 p -128.5 117.34 44.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.03 131.74 9.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 41.9 ttt180 -89.16 -27.99 20.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 26.6 m-85 -149.18 129.15 13.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.8 123.68 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -137.13 143.6 42.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.32 118.14 13.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.33 8.34 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.618 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.1 m-85 -87.26 30.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.07 -16.27 13.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.62 -175.82 19.61 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -74.99 -0.81 10.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -39.52 118.47 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.78 -4.84 51.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.497 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -137.59 60.38 25.29 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.618 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.1 Cg_endo -75.0 -34.04 4.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.8 pt-20 -62.03 -28.72 69.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -58.26 -47.02 84.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.0 -172.26 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 mt -134.47 143.54 47.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 90.95 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.468 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 4.2 mt -61.97 145.53 52.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.7 m -138.6 100.31 4.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -31.43 108.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.513 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 114.09 -45.0 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' THR . 13.9 mttt -46.19 162.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.741 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.477 ' CD1' HG21 ' A' ' 21' ' ' VAL . 80.6 m-85 -124.01 146.07 48.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.9 164.14 34.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.5 ' O ' ' N ' ' A' ' 63' ' ' GLU . 63.5 m-85 -122.32 124.17 43.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.629 HG12 ' CD1' ' A' ' 60' ' ' TYR . 2.1 t -96.98 116.58 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.557 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 38.9 m-85 -94.08 98.59 11.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.94 171.95 25.38 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.426 1.079 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -70.16 -157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.417 ' HG3' ' HA2' ' A' ' 58' ' ' GLY . 0.8 OUTLIER -63.03 149.53 44.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -76.7 178.17 6.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -52.99 -31.83 43.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.54 -19.25 21.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.417 ' HA2' ' HG3' ' A' ' 54' ' ' MET . . . 116.26 -19.03 13.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.433 1.083 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -58.48 165.74 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 0.745 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.629 ' CD1' HG12 ' A' ' 50' ' ' VAL . 2.2 m-85 -107.47 121.13 44.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.84 59.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.75 148.76 41.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.8 OUTLIER -115.6 111.75 21.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.495 ' HB2' ' CB ' ' A' ' 68' ' ' GLN . 3.9 mt -52.96 -172.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.1 mt -86.36 -38.88 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -68.56 -22.92 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.78 4.69 9.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.495 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -61.04 120.18 9.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -111.83 104.27 12.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.25 -173.82 13.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 38' ' ' ALA . 82.3 mt -80.17 159.07 26.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.514 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 47.5 t -154.72 129.45 4.91 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.468 ' HD2' ' CD1' ' A' ' 42' ' ' LEU . 18.3 Cg_endo -75.01 133.61 16.78 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.79 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.57 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 86.3 p -74.62 -1.93 23.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.03 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.42 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 14.4 m-20 -97.06 1.47 50.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 6.8 m-85 -134.79 14.32 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.514 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 4.4 m -129.64 154.35 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -135.92 106.17 6.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.489 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 40.2 m-85 -50.02 89.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.529 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 1.4 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.7 ' CG2' ' CE2' ' A' ' 51' ' ' TYR . 4.9 t -120.85 147.63 24.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -125.89 76.77 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.527 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 1.7 tp -44.26 120.64 2.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.548 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 6.5 m -117.49 166.91 11.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 108.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.577 HG21 ' CD1' ' A' ' 47' ' ' TYR . 3.5 p -133.66 101.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -39.27 127.88 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -90.39 -32.75 16.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -138.2 130.09 28.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.14 105.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.4 ' HD1' ' CE2' ' A' ' 76' ' ' PHE . 53.2 t80 -105.69 138.27 42.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -137.02 108.78 8.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.431 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.01 -33.04 4.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 34.2 m-85 -84.27 27.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -111.86 -29.27 7.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.84 177.88 33.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.0 0.99 8.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 m-20 -34.96 148.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' C ' ' HD3' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -101.21 -11.58 19.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.495 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -135.09 60.26 38.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -75.02 -34.85 3.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -61.51 -27.33 68.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -62.03 -47.0 86.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.32 -173.51 3.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.43 ' CD1' ' O ' ' A' ' 68' ' ' GLN . 11.4 mt -134.65 139.1 31.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 90.31 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.484 HD13 ' CG1' ' A' ' 72' ' ' VAL . 51.5 mt -67.94 154.95 40.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.554 ' O ' ' C ' ' A' ' 44' ' ' ALA . 18.9 m -136.75 99.26 4.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 110.366 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.554 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -27.76 116.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.51 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 104.06 -47.82 1.05 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.48 1.112 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' THR . 22.7 mmtt -51.85 163.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.577 ' CD1' HG21 ' A' ' 21' ' ' VAL . 49.2 m-85 -119.27 159.47 24.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.627 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -154.74 154.02 32.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.4 m-85 -106.08 112.56 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.59 HG23 ' CD1' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -106.59 116.98 51.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 17' ' ' VAL . 69.1 m-85 -86.93 135.55 33.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.5 -168.59 54.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -106.12 -172.93 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.417 ' SD ' ' CZ ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -46.57 145.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -85.88 -178.38 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.09 -23.18 67.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.25 -28.22 20.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.59 36.85 2.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 71' ' ' LEU . 9.6 m-85 -123.39 164.77 18.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.59 ' CD1' HG23 ' A' ' 50' ' ' VAL . 1.9 m-85 -111.8 128.36 56.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.419 ' N ' HG22 ' A' ' 50' ' ' VAL . 45.4 mt-10 -71.61 61.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.94 152.88 50.71 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' TYR . 33.5 tt0 -129.71 89.14 2.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 110.365 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -38.04 150.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.56 -15.36 37.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -82.74 -14.23 54.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.6 -2.84 36.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.43 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 1.8 tt0 -61.13 119.32 8.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 0.761 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -109.23 129.73 55.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -177.57 -163.97 30.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ALA . 83.5 mt -82.04 163.86 21.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.59 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 96.1 t -155.62 124.07 2.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.23 11.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.444 1.76 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.473 ' HA ' ' CG2' ' A' ' 77' ' ' VAL . 76.2 p -68.37 -7.86 35.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.412 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 1.3 t-20 -89.09 -0.1 57.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.437 ' C ' HG13 ' A' ' 77' ' ' VAL . 4.8 m-85 -133.02 11.62 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.59 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 3.2 m -130.0 146.01 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -129.34 106.83 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.548 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.2 m-85 -47.75 92.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.527 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 2.4 p . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.5 ' CG2' ' CE2' ' A' ' 51' ' ' TYR . 2.0 t -100.27 159.59 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.434 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 15.5 m-70 -142.78 114.13 7.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.634 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' A' ' 49' ' ' TYR . 11.7 tp -74.46 115.69 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.557 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 64.3 m -121.54 156.72 32.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.323 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.575 HG21 ' CD1' ' A' ' 47' ' ' TYR . 4.7 p -121.88 116.11 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.21 119.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.565 ' NE ' ' CZ ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -69.15 -52.7 25.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.565 ' CZ ' ' NE ' ' A' ' 23' ' ' ARG . 55.2 m-85 -134.86 133.95 40.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 t -42.85 139.61 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.546 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 8.2 t80 -141.44 148.76 40.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.79 92.5 4.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -25.02 12.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.54 1.811 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 15.3 m-85 -85.98 19.21 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -110.48 -20.65 12.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.07 179.82 31.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.02 0.24 9.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 m-20 -38.85 125.86 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.404 ' C ' ' HD3' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -83.48 -11.24 57.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.267 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.493 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -135.07 60.76 42.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.592 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.99 -34.03 4.14 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -61.68 -26.51 68.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 37' ' ' GLU . . . -67.75 -8.21 33.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -124.67 172.93 8.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.444 ' O ' HD11 ' A' ' 42' ' ' LEU . 10.1 mt -123.47 135.6 26.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 84.68 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -51.35 163.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.649 ' O ' ' C ' ' A' ' 44' ' ' ALA . 11.8 m -149.81 86.22 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.423 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.649 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -17.6 112.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.444 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 108.59 -41.96 2.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 111.063 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -51.92 159.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.575 ' CD1' HG21 ' A' ' 21' ' ' VAL . 66.8 m-85 -125.69 144.41 50.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.87 -173.79 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.584 ' CE1' HD12 ' A' ' 19' ' ' LEU . 73.8 m-85 -137.39 119.61 15.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.604 HG12 ' CD1' ' A' ' 60' ' ' TYR . 1.8 t -94.69 105.82 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.5 ' CE2' ' CG2' ' A' ' 17' ' ' VAL . 35.6 m-85 -80.97 117.05 21.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.434 ' O ' ' NE2' ' A' ' 18' ' ' HIS . . . 95.32 -125.69 8.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -152.01 -171.99 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 53' ' ' ASP . 7.6 mtm -35.92 129.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -76.02 -176.3 3.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -48.82 -46.14 41.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.92 -20.52 27.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.33 -29.6 6.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -44.53 155.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.604 ' CD1' HG12 ' A' ' 50' ' ' VAL . 7.7 m-85 -100.65 123.15 44.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -76.07 55.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.39 137.35 42.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' TYR . 4.1 tt0 -105.42 95.01 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.402 ' HB2' ' CB ' ' A' ' 68' ' ' GLN . 0.3 OUTLIER -40.03 153.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.1 mt -57.96 -21.96 46.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -82.27 -19.25 39.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.29 -4.64 25.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.402 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -54.92 124.3 16.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -108.41 101.33 10.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.88 165.13 26.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.9 mt -66.25 157.26 31.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.491 ' CG1' HG12 ' A' ' 77' ' ' VAL . 46.5 t -152.84 126.06 4.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.97 129.07 12.02 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.545 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 84.3 p -59.94 -15.12 19.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -84.62 -1.94 56.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 6.4 m-85 -130.18 37.01 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.491 HG12 ' CG1' ' A' ' 72' ' ' VAL . 15.8 m -156.26 165.08 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.506 ' CB ' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -148.57 105.71 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.557 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 52.8 m-85 -50.59 88.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.524 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 1.2 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mttm . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.529 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 2.1 t -109.61 159.73 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.48 ' ND1' ' O ' ' A' ' 17' ' ' VAL . 14.7 m-70 -151.35 105.59 3.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.578 HD11 ' CE1' ' A' ' 49' ' ' TYR . 2.1 tp -74.16 120.65 20.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.501 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 1.6 m -116.06 166.88 11.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.298 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.594 HG21 ' CD1' ' A' ' 47' ' ' TYR . 3.5 p -138.22 101.3 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.371 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -33.06 124.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -82.7 -50.82 8.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.473 ' O ' ' CB ' ' A' ' 25' ' ' SER . 62.3 m-85 -126.03 -1.82 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.481 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER 82.93 -179.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.41 ' OH ' ' OE2' ' A' ' 39' ' ' GLU . 37.7 t80 178.72 105.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.05 114.36 65.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -32.58 5.25 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 5.3 m-85 -86.46 34.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -113.23 -28.33 7.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.62 -177.3 31.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.03 0.97 8.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.7 m-20 -36.24 151.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.77 -8.94 15.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.501 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -136.55 60.14 29.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.601 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -75.04 -33.53 4.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.795 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.7 pt-20 -60.46 -27.36 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -60.77 -40.07 91.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' OE2' ' OH ' ' A' ' 26' ' ' TYR . 24.8 mt-10 -89.34 -176.15 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 68' ' ' GLN . 10.3 mt -127.98 138.18 32.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 18.3 Cg_endo -74.98 86.49 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.472 HD12 ' CG1' ' A' ' 77' ' ' VAL . 31.3 mt -57.64 149.33 21.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.9 m -134.27 93.81 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.348 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.575 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -25.87 113.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.487 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 108.89 -46.89 1.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 10.1 mttt -48.52 176.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.594 ' CD1' HG21 ' A' ' 21' ' ' VAL . 68.4 m-85 -134.95 148.37 50.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.653 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -149.93 157.67 43.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.578 ' CE1' HD11 ' A' ' 19' ' ' LEU . 66.9 m-85 -113.16 131.08 55.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.602 HG13 ' CD1' ' A' ' 60' ' ' TYR . 4.2 t -102.08 116.54 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.529 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 40.5 m-85 -97.19 85.79 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.65 171.31 13.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -80.43 -162.09 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -56.45 155.15 7.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.29 176.78 6.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.44 -39.01 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.96 -16.81 32.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.57 43.74 2.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -117.56 167.03 11.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.602 ' CD1' HG13 ' A' ' 50' ' ' VAL . 3.3 m-85 -110.49 128.62 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -73.53 58.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.52 156.54 7.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 49' ' ' TYR . 39.9 tt0 -131.84 84.23 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -36.73 152.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.74 -18.9 57.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.31 -2.83 56.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.63 1.15 66.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.474 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -62.17 118.41 7.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 0.773 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -106.79 113.2 26.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.464 ' CA ' ' HG ' ' A' ' 40' ' ' LEU . . . -159.68 171.76 36.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.511 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 87.4 mt -61.51 163.59 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.601 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 87.8 t -157.67 125.62 2.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.442 ' O ' HG12 ' A' ' 77' ' ' VAL . 18.3 Cg_endo -74.97 134.53 17.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.573 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 87.1 p -77.32 10.09 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.513 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -105.85 -11.35 16.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 25' ' ' SER . 85.1 m-85 -123.95 16.75 9.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.601 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 6.0 m -133.29 142.13 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -123.43 105.78 10.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -49.49 90.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.517 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 1.6 p . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mttt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.64 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.6 t -104.99 159.74 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 17' ' ' VAL . 20.9 m-70 -149.94 104.03 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.54 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 3.5 tp -70.1 119.62 14.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.604 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 12.2 m -115.51 165.41 13.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.577 HG22 ' CD1' ' A' ' 47' ' ' TYR . 3.8 p -135.08 100.18 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.49 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -38.77 128.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -86.54 -37.33 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -140.53 129.91 23.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.79 129.97 5.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.972 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.514 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 9.9 t80 -123.85 151.88 42.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.43 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 1.1 m120 -148.42 96.81 3.85 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.402 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.0 -16.78 20.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 1.2 m-85 -95.07 28.16 2.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -108.05 -24.84 11.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.22 -179.35 32.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.06 -0.32 9.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -38.49 119.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.65 -3.07 42.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.493 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -138.68 60.49 19.8 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.639 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.98 -35.08 3.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.41 -21.95 65.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -60.42 -45.62 92.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -86.35 -178.2 6.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 68' ' ' GLN . 9.1 mt -127.68 135.24 27.17 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 89.52 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.514 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -58.77 167.87 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.612 ' O ' ' C ' ' A' ' 44' ' ' ALA . 18.8 m -150.75 95.82 2.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.612 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -22.19 114.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 103.63 -48.63 1.0 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' THR . 32.1 mttt -46.79 158.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.577 ' CD1' HG22 ' A' ' 21' ' ' VAL . 64.8 m-85 -117.84 156.4 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.639 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -157.88 153.64 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 63' ' ' GLU . 60.3 m-85 -108.77 131.26 55.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.614 HG13 ' CD1' ' A' ' 60' ' ' TYR . 2.8 t -101.56 111.8 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.64 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 34.5 m-85 -93.84 93.98 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.95 -135.15 8.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -151.44 -173.74 4.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.59 121.42 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -162.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.76 -27.04 57.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -88.93 -16.94 30.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.26 43.61 3.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -120.25 171.62 8.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 0.758 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.614 ' CD1' HG13 ' A' ' 50' ' ' VAL . 3.0 m-85 -112.76 129.26 56.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.406 ' N ' HG12 ' A' ' 50' ' ' VAL . 48.4 mt-10 -75.14 60.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.26 157.52 12.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 49' ' ' TYR . 24.1 tt0 -131.63 82.73 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -35.37 146.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.4 mt -57.65 -18.43 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.13 -5.46 58.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.63 -3.06 60.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.475 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -59.58 121.49 11.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -110.8 125.25 53.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -174.96 -179.81 45.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.518 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 92.6 mt -67.49 164.37 19.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.617 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 70.8 t -158.16 124.82 2.54 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.492 ' HD2' ' CD2' ' A' ' 42' ' ' LEU . 18.3 Cg_endo -74.95 127.01 10.38 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.46 ' HA ' ' CG2' ' A' ' 77' ' ' VAL . 54.4 p -67.81 -8.33 35.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -87.65 -1.69 58.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.422 ' C ' HG13 ' A' ' 77' ' ' VAL . 4.7 m-85 -131.01 8.39 4.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.617 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 2.7 m -128.73 152.39 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -135.43 106.8 6.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.604 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.4 m-85 -47.45 92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.54 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 2.6 p . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.577 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 22.7 m -91.67 -170.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 70.4 m-70 -160.41 99.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.609 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.542 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 6.9 tp -58.22 114.44 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.608 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 57.4 m -118.81 162.9 17.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 108.265 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.541 HG22 ' CD1' ' A' ' 47' ' ' TYR . 4.0 p -127.68 113.11 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -35.72 118.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.604 ' NE ' ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -67.48 -51.09 55.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.604 ' CZ ' ' NE ' ' A' ' 23' ' ' ARG . 43.0 m-85 -139.8 127.39 21.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' TYR . 0.7 OUTLIER -38.91 120.69 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -135.87 147.69 48.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.35 118.43 8.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -30.99 6.5 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.79 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.61 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 4.0 m-85 -86.25 32.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -111.89 -24.34 10.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.04 -173.55 22.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.059 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.01 0.27 9.11 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -38.42 119.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.73 -5.6 57.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.508 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -137.73 59.88 22.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.61 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.98 -34.52 3.77 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.9 pt-20 -60.96 -28.25 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -59.0 -46.92 86.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -82.59 -176.04 6.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 68' ' ' GLN . 12.3 mt -129.42 141.19 40.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 90.95 1.05 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.465 ' CD2' HG11 ' A' ' 72' ' ' VAL . 10.5 mt -63.48 149.74 45.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.555 ' O ' ' C ' ' A' ' 44' ' ' ALA . 15.7 m -139.53 96.55 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.555 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -27.11 108.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 114.19 -45.57 1.29 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.501 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 7.1 mttt -46.47 171.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.541 ' CD1' HG22 ' A' ' 21' ' ' VAL . 72.7 m-85 -132.96 144.47 50.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.56 160.29 41.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 63' ' ' GLU . 71.7 m-85 -116.57 126.89 53.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.628 HG13 ' CD1' ' A' ' 60' ' ' TYR . 1.3 t -98.65 103.39 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -69.19 121.15 16.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 18' ' ' HIS . . . 81.54 -118.36 4.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.72 -165.38 2.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 0.757 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.7 mtm -37.29 145.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -90.18 178.77 6.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -62.7 -25.68 68.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.84 -20.73 21.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.98 -18.01 24.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -69.69 166.64 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 0.723 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.628 ' CD1' HG13 ' A' ' 50' ' ' VAL . 2.0 m-85 -103.83 119.76 39.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -69.89 58.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' TYR . . . -58.41 152.93 28.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.9 tm-20 -121.69 115.36 22.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.51 ' HB2' ' CB ' ' A' ' 68' ' ' GLN . 5.6 mt -54.51 -172.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.1 mt -85.83 -40.48 15.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.1 -7.15 47.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.21 -0.74 37.86 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.51 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -56.95 121.41 9.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 0.804 . . . . 0.0 110.302 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -108.42 150.32 27.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 174.76 -175.63 46.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 38' ' ' ALA . 71.1 mt -83.98 154.95 23.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.49 ' CG1' HG13 ' A' ' 77' ' ' VAL . 30.6 t -151.46 132.4 7.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 133.78 17.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.576 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 40.0 t -70.48 -2.92 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -97.09 1.77 50.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.494 ' CE1' ' HB2' ' A' ' 75' ' ' ASN . 5.7 m-85 -137.53 39.41 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.49 HG13 ' CG1' ' A' ' 72' ' ' VAL . 10.8 m -154.64 151.35 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.486 ' CB ' HG13 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -135.7 107.61 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.608 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 57.5 m-85 -52.28 86.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.542 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 2.1 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.699 ' CG2' ' CE2' ' A' ' 51' ' ' TYR . 3.5 t -106.76 147.23 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.434 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 96.8 m-70 -129.67 82.97 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.573 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.581 HD13 ' CE1' ' A' ' 49' ' ' TYR . 5.4 tp -52.66 122.75 9.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.632 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 57.1 m -122.26 159.64 26.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.326 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.544 HG21 ' CD1' ' A' ' 47' ' ' TYR . 4.9 p -126.88 109.9 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -39.86 134.36 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HB3' ' CD2' ' A' ' 24' ' ' TYR . 34.3 ttt180 -92.4 -29.75 16.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 23' ' ' ARG . 38.3 m-85 -146.32 130.27 17.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -45.58 137.24 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.513 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 10.4 t80 -134.04 153.64 51.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.432 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -150.12 95.69 3.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.16 13.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.622 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 2.0 m-85 -90.86 26.09 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.59 -14.0 14.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.39 -178.37 21.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.0 -2.57 12.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -39.47 118.27 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.89 -2.63 40.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.504 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -138.7 60.18 18.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.622 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.1 Cg_endo -75.0 -33.04 4.88 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 3.1 pt-20 -63.72 -27.25 69.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HB3' ' ND2' ' A' ' 35' ' ' ASN . . . -60.11 -15.31 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -120.03 175.71 5.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.484 ' CD1' ' HG ' ' A' ' 64' ' ' LEU . 10.9 mt -123.39 136.85 27.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 88.12 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.52 HD11 ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -55.66 165.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.639 ' O ' ' C ' ' A' ' 44' ' ' ALA . 5.1 m -154.39 88.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.639 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -17.58 108.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.485 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 110.86 -43.52 1.7 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' CG ' ' HB ' ' A' ' 43' ' ' THR . 15.6 mttt -46.68 162.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.544 ' CD1' HG21 ' A' ' 21' ' ' VAL . 79.5 m-85 -125.6 147.03 49.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.5 163.17 38.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' HD13 ' A' ' 19' ' ' LEU . 64.4 m-85 -115.87 114.3 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.563 HG21 ' CD1' ' A' ' 60' ' ' TYR . 1.2 p -104.25 121.42 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.699 ' CE2' ' CG2' ' A' ' 17' ' ' VAL . 51.8 m-85 -94.06 145.48 24.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.02 -178.01 22.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -80.91 -154.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.53 150.5 47.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -75.45 173.16 11.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -48.25 -33.78 9.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -93.59 -22.53 18.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.38 -25.97 5.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 71' ' ' LEU . 8.3 m-85 -51.11 155.24 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.563 ' CD1' HG21 ' A' ' 50' ' ' VAL . 2.0 m-85 -105.99 126.83 52.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.42 62.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' TYR . . . -66.1 153.34 51.85 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.1 tm-20 -125.26 116.03 21.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.261 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.487 ' HB2' ' CB ' ' A' ' 68' ' ' GLN . 5.4 mt -54.92 -171.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.2 mt -94.32 -6.88 43.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 109.243 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -101.89 -6.17 23.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.7 4.85 42.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.487 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -64.38 120.37 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 0.733 . . . . 0.0 110.307 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -107.26 98.46 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.57 165.78 24.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 59' ' ' PHE . 37.4 mt -63.91 162.65 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.617 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 81.1 t -155.76 122.71 2.7 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.455 ' HD2' ' CD2' ' A' ' 42' ' ' LEU . 18.4 Cg_endo -75.0 129.77 12.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.494 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 32.4 t -69.2 -7.35 35.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -89.91 -1.76 58.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.407 ' C ' HG13 ' A' ' 77' ' ' VAL . 5.1 m-85 -131.67 11.65 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.617 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 2.9 m -127.69 153.35 36.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.23 107.36 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.632 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.9 m-85 -47.63 110.15 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.501 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 1.1 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 54.65 85.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 109.974 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 t -82.43 -53.54 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.92 -156.63 17.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.128 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m 71.79 -68.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.006 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.32 159.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.48 -55.21 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -164.1 150.3 11.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m -51.13 105.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -82.17 -68.18 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -132.36 139.42 48.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.42 ' CZ ' ' O ' ' A' ' 54' ' ' MET . 14.7 mtt-85 -93.74 43.65 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -170.54 50.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 t 174.13 -33.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' LYS . . . -62.92 169.23 17.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -40.09 154.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 0.801 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' A' ' 51' ' ' TYR . 5.5 p -119.12 153.25 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -120.75 140.39 51.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.634 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.532 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 1.3 tp -97.65 118.44 34.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.498 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 66.7 m -118.77 158.9 24.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.551 HG22 ' CD1' ' A' ' 47' ' ' TYR . 4.4 p -124.5 108.78 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -35.86 123.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.488 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.9 ttt180 -83.53 -27.74 29.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.065 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 31.5 m-85 -150.8 124.95 9.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.1 p -44.19 121.15 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 27' ' ' ASN . 22.6 t80 -126.93 152.02 47.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -146.8 113.87 4.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -30.5 7.06 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.449 1.762 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.62 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.6 m-85 -87.21 30.95 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.97 -15.75 12.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.69 -175.35 19.07 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.03 -0.71 10.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -39.71 118.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.9 -5.48 53.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.496 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -136.93 60.58 30.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.62 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.5 Cg_endo -74.98 -34.03 4.16 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.517 1.799 . . . . 0.0 111.047 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.0 pt-20 -61.99 -28.59 69.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -57.47 -48.53 78.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -81.24 -172.53 3.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.459 ' CD1' ' O ' ' A' ' 62' ' ' GLY . 12.9 mt -134.59 141.48 39.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 94.11 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.774 . . . . 0.0 111.031 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.81 146.63 51.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.493 ' O ' ' C ' ' A' ' 44' ' ' ALA . 44.0 m -131.55 104.29 6.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -33.78 117.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.53 -43.73 1.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.4 mtmt -58.9 163.91 3.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.551 ' CD1' HG22 ' A' ' 21' ' ' VAL . 25.1 m-85 -123.1 164.4 18.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -153.82 162.69 41.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' GLU . 49.4 m-85 -115.28 107.82 15.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.575 HG21 ' CD1' ' A' ' 60' ' ' TYR . 1.5 p -98.03 113.88 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 92.9 m-85 -80.03 142.1 35.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.18 -130.9 11.71 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.85 -167.24 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.798 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.42 ' O ' ' CZ ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -37.48 142.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 111.026 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.402 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 16.1 t70 -91.66 174.05 7.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.072 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.74 -26.71 67.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.18 -31.63 19.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 112.55 36.92 1.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -126.63 166.49 17.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.987 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.575 ' CD1' HG21 ' A' ' 50' ' ' VAL . 3.7 m-85 -110.32 128.32 55.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' N ' HG23 ' A' ' 50' ' ' VAL . 51.6 mt-10 -75.27 56.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . -60.67 141.86 48.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' TYR . 33.8 tt0 -113.24 97.29 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.736 . . . . 0.0 110.258 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.436 ' HB2' ' CB ' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -41.47 153.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.27 -17.26 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -84.29 -11.82 55.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.73 -3.11 36.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.436 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -60.82 123.22 16.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.778 . . . . 0.0 110.283 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -112.39 121.94 46.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -168.67 -177.84 39.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 82.6 mt -70.74 163.27 27.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.567 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 70.6 t -158.06 125.06 2.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 130.48 13.29 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.549 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 32.5 t -70.52 -6.59 37.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 1.2 t30 -90.43 -2.98 57.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.401 ' C ' HG13 ' A' ' 77' ' ' VAL . 8.1 m-85 -127.97 8.65 6.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.567 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 3.3 m -129.25 144.62 37.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -123.99 107.41 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.498 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 33.8 m-85 -50.18 88.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.532 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 1.6 p -69.06 166.61 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.498 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 55.0 mt-30 -139.11 135.17 33.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -63.94 -64.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -149.03 89.21 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' HG2' ' NE2' ' A' ' 81' ' ' GLN . 0.2 OUTLIER -42.15 -65.95 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.65 106.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.58 -55.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -101.97 170.22 8.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.99 -2.22 46.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.0 t 64.84 132.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.6 t -119.44 -38.09 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 t -112.87 155.09 25.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.56 177.55 20.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 176.75 9.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.3 p -117.69 161.46 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.6 p -71.73 141.01 49.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.96 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.431 1.082 . . . . 0.0 110.98 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -85.16 -58.44 2.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 110.02 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -166.15 110.3 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.98 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.11 -176.01 41.85 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -126.1 -58.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.51 127.56 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.77 97.63 0.86 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -143.53 138.17 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 0.722 . . . . 0.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 p -92.79 117.47 30.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -85.01 -62.29 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -133.74 139.99 46.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -48.9 132.0 18.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 43.84 51.31 6.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.19 21.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.83 -163.53 35.46 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -90.67 140.59 29.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.646 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 2.1 t -82.35 129.87 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 52' ' ' GLY . 23.5 m-70 -119.25 108.64 14.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.523 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 6.0 tp -68.14 119.26 12.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.623 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 83.0 m -123.08 154.85 38.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.289 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.571 HG23 ' CD1' ' A' ' 47' ' ' TYR . 3.1 p -120.55 114.77 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.5 130.41 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.488 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 4.4 ttt180 -88.64 -27.76 21.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 30.2 m-85 -151.0 128.49 11.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.55 118.82 2.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.035 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -128.15 146.11 50.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.07 116.26 8.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.411 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -74.99 -30.74 6.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.603 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 46.2 m-85 -84.67 29.2 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 30' ' ' ASP . 4.6 t0 -110.7 -28.01 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.25 -178.84 28.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.98 0.39 8.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.439 1.757 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -37.27 121.91 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.07 -5.0 55.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.507 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -138.63 59.69 17.48 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.603 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -75.0 -34.64 3.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.485 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 1.7 pt-20 -61.3 -30.64 70.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -57.17 -47.76 80.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.06 -174.45 4.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.8 mt -133.82 142.69 44.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.87 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.454 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 9.9 mt -68.2 152.52 45.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 44' ' ' ALA . 27.7 m -140.93 103.69 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.72 116.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.52 -46.64 1.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -53.73 166.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.571 ' CD1' HG23 ' A' ' 21' ' ' VAL . 33.1 m-85 -128.54 163.99 23.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.82 161.85 38.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.9 m-85 -112.35 108.97 18.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.579 HG22 ' CD1' ' A' ' 60' ' ' TYR . 1.4 p -100.04 117.65 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.646 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 24.1 m-85 -83.24 143.01 30.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 18' ' ' HIS . . . 67.56 -153.89 52.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -119.0 -174.32 2.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.0 mtm -44.54 146.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.21 -164.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.54 -26.62 55.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -86.79 -27.41 23.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.67 45.7 1.38 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -132.14 161.92 32.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 110.97 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.579 ' CD1' HG22 ' A' ' 50' ' ' VAL . 5.0 m-85 -106.55 132.23 52.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.424 ' N ' HG21 ' A' ' 50' ' ' VAL . 74.2 mt-10 -78.9 52.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.76 145.64 23.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' TYR . 44.0 tt0 -117.56 94.69 4.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.406 ' HB2' ' CB ' ' A' ' 68' ' ' GLN . 0.3 OUTLIER -39.74 146.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.0 mt -55.43 -22.54 20.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -77.11 -28.88 54.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.88 -5.4 8.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.426 1.079 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.406 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 1.2 tt0 -57.53 121.8 11.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -111.04 111.19 22.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -155.42 -173.91 24.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.486 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 93.8 mt -75.74 163.23 27.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 71' ' ' LEU . 73.0 t -157.23 122.98 2.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 42' ' ' LEU . 18.4 Cg_endo -74.97 127.41 10.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.574 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 31.1 t -66.68 -10.57 47.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -86.79 -0.09 55.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -131.29 16.98 4.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.478 HG12 ' CG1' ' A' ' 72' ' ' VAL . 4.9 m -140.18 150.8 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -129.07 107.55 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.623 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.9 m-85 -47.89 91.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.523 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 1.1 p -73.39 164.63 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.535 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 3.2 pt20 -75.45 -144.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 81' ' ' GLN . 1.6 t0 84.39 -45.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -160.12 91.37 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.09 -60.61 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.6 p -167.69 140.92 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.24 -54.85 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 mt -97.32 152.36 18.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.24 -179.51 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.98 147.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -163.74 145.76 9.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 88.2 p -160.78 157.59 27.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.15 96.28 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.15 27.7 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.5 p -171.21 170.25 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -58.67 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -81.54 100.23 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.14 135.39 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.62 156.08 21.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -116.18 148.12 40.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.97 144.32 6.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.38 172.49 41.68 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.5 p -79.78 95.24 5.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 110.438 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 p 46.51 86.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -62.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -133.56 139.64 46.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -93.14 38.86 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.42 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 28.8 p90 -175.96 58.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.4 t -173.96 -38.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' LYS . . . -55.81 166.67 3.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -39.69 151.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 51' ' ' TYR . 4.2 p -121.07 163.65 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -136.79 136.1 38.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.607 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.533 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 2.1 tp -92.17 118.56 30.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.598 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 35.3 m -118.75 149.22 41.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.564 HG21 ' CD2' ' A' ' 47' ' ' TYR . 5.7 p -114.14 110.0 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -38.46 127.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.468 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 15.1 ttt180 -86.15 -30.54 22.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.468 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 27.2 m-85 -148.89 133.62 17.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.75 119.96 5.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.045 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -128.59 141.96 51.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.02 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.74 115.12 12.25 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.65 8.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.1 m-85 -87.63 31.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.94 -18.14 12.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.14 -176.29 20.9 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 -0.86 10.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -39.38 120.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.71 -4.43 54.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.269 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.496 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -137.98 60.44 23.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.614 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -74.99 -33.11 4.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.782 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.9 pt-20 -62.37 -28.9 70.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -57.31 -47.09 82.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -82.86 -172.98 4.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 mt -134.57 142.94 44.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 92.29 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.479 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 8.8 mt -64.99 148.56 51.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.479 ' O ' ' C ' ' A' ' 44' ' ' ALA . 23.7 m -136.57 103.78 5.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.75 118.06 0.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.506 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 104.08 -43.82 1.6 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 43' ' ' THR . 15.3 mmtt -57.72 161.75 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.564 ' CD2' HG21 ' A' ' 21' ' ' VAL . 21.6 m-85 -119.67 171.52 8.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.412 HD13 ' CG1' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -164.83 156.97 15.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 63' ' ' GLU . 41.3 m-85 -110.06 109.66 20.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.562 HG21 ' CD1' ' A' ' 60' ' ' TYR . 1.4 p -97.26 109.37 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.419 ' N ' HG23 ' A' ' 17' ' ' VAL . 80.8 m-85 -76.48 144.94 39.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.82 -137.93 37.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -129.86 -175.25 3.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.505 ' HE3' ' CZ ' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -44.21 159.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -95.9 173.23 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.71 -12.79 50.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -92.34 -30.95 15.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.28 37.27 1.66 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -132.7 164.57 26.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 0.793 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.562 ' CD1' HG21 ' A' ' 50' ' ' VAL . 2.7 m-85 -104.96 127.4 52.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.445 ' N ' HG23 ' A' ' 50' ' ' VAL . 58.9 mt-10 -69.99 60.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.99 143.14 47.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TYR . 34.8 tt0 -115.94 96.85 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.79 148.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.4 mt -58.09 -17.81 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.45 -15.58 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.21 -3.73 31.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -60.24 121.2 11.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 110.34 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -107.9 113.43 26.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -158.59 179.98 33.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ALA . 69.5 mt -70.07 160.04 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.492 ' CG1' HG11 ' A' ' 77' ' ' VAL . 61.7 t -154.08 119.99 2.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.479 ' HD2' ' CD1' ' A' ' 42' ' ' LEU . 18.4 Cg_endo -75.0 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.56 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 59.1 p -54.36 -20.73 7.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -72.64 -5.17 35.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.405 ' C ' HG13 ' A' ' 77' ' ' VAL . 5.1 m-85 -129.28 19.11 5.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.492 HG11 ' CG1' ' A' ' 72' ' ' VAL . 1.4 m -137.27 153.81 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -134.67 106.54 7.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.598 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.1 m-85 -47.02 92.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.533 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 2.1 p -79.52 167.98 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.488 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 2.6 mm-40 -120.64 -127.01 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 84' ' ' GLU . 15.1 t0 69.42 -65.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -70.28 62.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -61.75 -37.58 84.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.1 m -91.34 54.98 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.586 1.179 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.47 -26.33 32.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.68 170.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.31 159.22 42.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.2 m -76.86 113.23 14.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.006 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -176.75 -42.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 m -120.75 167.35 12.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.961 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 166.03 92.57 0.09 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -49.62 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 t -168.52 -57.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.53 145.94 16.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.033 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.85 139.02 6.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.789 . . . . 0.0 110.025 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -169.13 168.94 9.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.947 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.38 -145.77 5.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.51 160.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 109.986 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.7 -61.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.959 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.87 179.67 1.27 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -69.94 -14.06 62.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 m 179.0 120.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.023 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -106.14 -62.28 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -132.35 -178.77 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.2 mmt-85 -121.44 39.49 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 19.7 p90 -175.52 58.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.7 t -165.16 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.022 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.07 168.6 0.67 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.01 153.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 51' ' ' TYR . 4.6 p -122.96 147.59 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -115.33 137.21 52.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.568 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 tp -95.24 109.24 21.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.615 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 33.8 m -109.27 161.46 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.329 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.581 HG22 ' CD1' ' A' ' 47' ' ' TYR . 5.3 p -126.01 108.3 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -36.12 123.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.44 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 20.5 ttt180 -83.82 -31.05 26.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.44 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 26.9 m-85 -146.63 128.52 15.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.3 p -49.22 119.46 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -130.04 142.69 50.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.42 116.75 11.1 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.42 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.4 Cg_endo -74.96 -31.36 6.34 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 45.5 m-85 -84.65 29.51 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -111.82 -27.12 8.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.62 -178.99 28.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.98 -0.13 9.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.8 m-20 -37.47 121.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.15 -6.18 55.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.498 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -137.52 60.3 25.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.592 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.95 -35.36 3.23 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.494 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 1.5 pt-20 -60.49 -31.1 70.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -56.02 -48.33 76.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -80.5 -175.22 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 62' ' ' GLY . 13.1 mt -132.72 142.85 46.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 95.44 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.47 145.46 49.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 44' ' ' ALA . 20.4 m -130.27 103.51 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.422 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.02 117.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.17 -43.51 1.65 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' THR . 36.7 mmtt -58.55 162.55 3.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.581 ' CD1' HG22 ' A' ' 21' ' ' VAL . 6.3 m-85 -122.59 156.22 34.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' CD1' ' HA3' ' A' ' 62' ' ' GLY . 0.4 OUTLIER -145.16 163.95 32.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' GLU . 42.4 m-85 -116.08 107.69 15.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.562 HG22 ' CD1' ' A' ' 60' ' ' TYR . 1.5 p -97.18 112.33 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 17' ' ' VAL . 90.0 m-85 -78.85 140.03 38.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.75 178.5 7.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -81.44 -173.03 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.805 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -40.86 156.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.24 -175.17 5.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -61.6 -34.31 75.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.02 -28.17 20.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.3 -8.19 7.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -73.68 163.68 27.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.562 ' CD1' HG22 ' A' ' 50' ' ' VAL . 5.2 m-85 -108.81 131.1 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.438 ' N ' HG21 ' A' ' 50' ' ' VAL . 52.6 mt-10 -76.15 52.85 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . -55.56 142.31 37.28 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' TYR . 41.5 tt0 -115.43 99.03 7.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.77 . . . . 0.0 110.277 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.45 ' HB2' ' CB ' ' A' ' 68' ' ' GLN . 0.3 OUTLIER -40.16 153.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.8 -14.81 55.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -86.71 -19.77 28.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.84 -8.78 14.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.45 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -55.63 123.4 13.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -112.29 123.53 50.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -168.41 -174.8 37.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 84.5 mt -73.89 162.43 29.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.493 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 69.7 t -157.31 124.47 2.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.82 13.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.443 1.76 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.498 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 60.6 p -69.51 -7.37 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.37 0.84 57.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -132.3 13.74 4.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.493 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 4.4 m -135.27 138.12 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.62 107.36 14.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.615 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.3 m-85 -50.61 110.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.426 ' CG1' ' H ' ' A' ' 81' ' ' GLN . 2.2 t -71.36 -142.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.426 ' H ' ' CG1' ' A' ' 80' ' ' VAL . 3.1 pt20 -137.06 -110.55 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 110.262 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 81' ' ' GLN . 0.3 OUTLIER 76.95 -57.65 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.404 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 10.5 p-10 -175.14 93.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.74 -64.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.9 t -178.18 137.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -51.43 38.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.3 mt -112.64 153.78 27.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -173.8 172.76 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.06 137.26 32.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.6 t -169.11 147.2 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.7 p -47.64 129.35 13.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.026 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -73.01 -88.74 0.16 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.536 1.148 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 160.6 40.0 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.21 164.4 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.8 p -178.37 121.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.22 100.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.97 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -139.93 -58.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.84 -163.26 28.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.54 108.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.986 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 p -125.24 151.92 45.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.45 -60.32 0.95 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.2 p -79.17 97.98 6.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 110.419 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -40.94 111.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -40.45 -67.1 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -133.89 140.61 46.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.94 60.46 5.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 179.27 -36.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.64 24.13 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.71 165.19 49.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -49.12 170.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.787 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.459 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 1.7 t -101.54 155.86 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 17' ' ' VAL . 18.0 m-70 -151.52 113.09 4.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.543 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 6.1 tp -79.09 117.66 20.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.608 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 51.7 m -121.03 148.43 44.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.507 HG21 ' CE1' ' A' ' 47' ' ' TYR . 4.5 p -118.18 118.87 59.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.37 129.96 13.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.427 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 41.0 ttt180 -88.94 -28.72 20.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.427 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 26.9 m-85 -148.96 129.56 14.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.76 121.71 6.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.405 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 10.7 t80 -133.55 144.71 49.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.99 118.44 11.12 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -30.57 6.99 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.445 1.761 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.618 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 4.0 m-85 -87.71 34.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -113.08 -26.99 8.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.68 -179.18 30.82 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.99 0.67 8.62 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.7 m-20 -36.6 151.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.44 -6.86 16.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.507 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -136.91 59.93 26.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.618 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -75.0 -33.48 4.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.1 pt-20 -62.09 -28.55 69.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 37' ' ' GLU . . . -58.51 -46.64 86.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -82.93 -172.19 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 mt -135.08 143.4 45.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.53 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 8.4 mt -65.21 149.43 49.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.504 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.6 m -140.3 103.46 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.504 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -32.46 114.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.353 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 107.07 -44.08 1.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' THR . 8.9 mttt -56.33 148.25 19.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.507 ' CE1' HG21 ' A' ' 21' ' ' VAL . 50.2 m-85 -105.8 170.78 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.08 158.13 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.525 ' CE1' HD11 ' A' ' 19' ' ' LEU . 59.1 m-85 -115.19 122.13 45.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.614 HG13 ' CD1' ' A' ' 60' ' ' TYR . 2.5 t -96.5 113.28 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.415 ' CE1' ' CG2' ' A' ' 17' ' ' VAL . 36.7 m-85 -87.0 87.51 7.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.3 -176.83 16.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -83.91 -170.25 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.797 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.92 157.73 14.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.78 173.11 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -56.11 -27.86 55.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.86 -19.09 25.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.8 25.91 7.82 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -102.67 160.03 14.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.614 ' CD1' HG13 ' A' ' 50' ' ' VAL . 4.0 m-85 -109.96 132.2 54.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.413 ' N ' HG12 ' A' ' 50' ' ' VAL . 61.2 mt-10 -79.4 61.0 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.84 144.27 48.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 49' ' ' TYR . 21.4 tt0 -115.19 89.55 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.757 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.42 ' HB2' ' CB ' ' A' ' 68' ' ' GLN . 1.0 OUTLIER -39.97 145.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 47' ' ' TYR . 5.5 mp -57.3 -17.88 14.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -82.92 -6.57 59.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.42 6.29 57.59 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.42 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -70.81 121.95 18.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -111.57 115.22 28.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -161.04 -178.76 35.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.421 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 83.7 mt -73.4 158.98 33.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.563 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 97.4 t -154.42 125.21 3.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 42' ' ' LEU . 18.5 Cg_endo -74.98 132.02 14.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.561 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 78.2 p -71.5 -4.37 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -91.77 -1.69 57.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.405 ' CE2' ' HD2' ' A' ' 26' ' ' TYR . 7.6 m-85 -130.37 9.16 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.563 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 3.6 m -129.21 156.65 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -136.31 108.71 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.359 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.608 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.6 m-85 -50.97 88.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.543 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 1.5 p -70.15 165.97 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.498 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 32.4 mt-30 -137.21 135.19 37.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.78 -77.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.88 95.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.66 13.79 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 t -62.13 -151.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -35.82 75.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -91.87 170.92 9.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 87' ' ' LEU . . . 168.63 -177.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -114.48 95.47 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 t -159.08 145.12 16.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.6 m -54.08 134.85 43.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.33 -86.27 1.81 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 131.71 14.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.0 p -60.71 156.29 17.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.1 t -170.13 105.11 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 73.01 -68.08 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 52.7 91.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.68 102.15 0.16 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.35 94.23 2.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.769 . . . . 0.0 110.002 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 m -50.54 158.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.04 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.74 -76.99 0.22 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.5 p -74.4 101.18 4.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 0.761 . . . . 0.0 110.446 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 p -63.47 124.51 21.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.955 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -95.56 -62.17 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -115.19 -174.45 2.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -126.05 18.4 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -163.79 35.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.8 20.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.035 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.67 -166.86 33.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 158.2 35.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.534 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.9 t -105.67 161.47 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 8.8 m-70 -147.41 113.32 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.58 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' A' ' 49' ' ' TYR . 6.2 tp -76.86 119.3 20.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.603 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 62.5 m -122.76 148.91 44.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.347 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.502 HG22 ' CD1' ' A' ' 47' ' ' TYR . 3.8 p -118.08 120.36 64.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.494 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -51.34 137.12 23.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.521 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 25.6 ttt180 -93.34 -31.84 14.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.521 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 30.6 m-85 -148.25 130.57 15.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.42 123.72 4.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.483 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 10.7 t80 -117.82 153.06 34.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.439 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -147.43 97.65 4.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -19.02 18.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.55 1.816 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 1.8 m-85 -97.39 30.47 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -108.56 -30.03 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.07 -177.57 33.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.03 0.83 8.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.807 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.8 m-20 -37.06 117.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -77.12 -2.4 34.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.48 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -137.19 60.74 29.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.632 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.99 -41.46 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -60.88 -24.17 65.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -58.71 -48.86 79.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -83.99 -174.81 5.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.8 mt -131.78 136.17 27.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 91.82 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.494 ' HB3' ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -60.67 177.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.65 ' O ' ' C ' ' A' ' 44' ' ' ALA . 6.1 m -160.79 89.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.65 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -17.81 115.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.453 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 103.29 -42.02 1.99 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -51.96 159.34 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.764 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.502 ' CD1' HG22 ' A' ' 21' ' ' VAL . 54.6 m-85 -123.59 148.67 46.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.42 165.78 26.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.55 ' CE1' HD12 ' A' ' 19' ' ' LEU . 60.6 m-85 -118.82 122.18 41.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.619 HG13 ' CD1' ' A' ' 60' ' ' TYR . 2.1 t -98.38 113.57 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 25.5 m-85 -89.49 98.49 11.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.22 -169.47 13.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -95.55 -172.5 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.434 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -50.09 158.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.4 172.3 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.43 -27.17 62.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -89.55 -17.85 27.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.74 27.87 8.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -110.32 168.2 9.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.619 ' CD1' HG13 ' A' ' 50' ' ' VAL . 3.2 m-85 -111.14 125.73 54.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -76.02 62.9 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.61 150.07 42.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 49' ' ' TYR . 29.8 tt0 -118.02 92.36 3.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -39.77 148.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.7 mt -55.88 -24.1 35.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -77.25 -22.82 51.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.51 1.81 21.46 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -63.36 124.23 20.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.298 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -109.85 111.29 22.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -154.82 176.87 32.4 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.495 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 74.6 mt -70.3 162.22 28.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.79 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.585 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 76.0 t -157.39 126.93 3.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 131.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.461 1.769 . . . . 0.0 111.048 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.465 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 59.5 p -71.78 -4.16 26.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 4.7 t30 -91.77 -9.77 42.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -119.88 5.75 10.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.585 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 3.0 m -125.98 157.43 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -138.47 106.99 5.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.603 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.9 m-85 -48.88 91.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.546 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 1.7 p -74.27 166.44 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.492 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 75.1 mt-30 -138.15 134.2 34.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.6 -53.47 4.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -161.17 91.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.99 -59.23 2.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.6 t 63.1 114.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -30.22 68.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.5 147.17 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 65.79 173.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.6 m -39.75 130.43 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -160.06 145.7 15.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 t -153.47 132.22 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.0 -169.02 13.35 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 145.39 31.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 110.952 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.9 t -173.3 164.72 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.03 85.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.142 . . . . 0.0 111.012 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.62 157.16 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 0.728 . . . . 0.0 110.022 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 t -138.17 159.02 43.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.968 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.85 -164.33 9.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.958 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -153.2 151.86 30.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 0.742 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.2 p -160.31 167.64 27.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.76 151.95 20.14 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 69.03 156.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 0.793 . . . . 0.0 110.37 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 m -111.64 99.52 8.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -64.78 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -133.27 139.76 47.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -90.22 37.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 40.0 p90 -176.78 52.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.5 t -128.57 -42.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.24 150.2 19.47 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.91 158.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 51' ' ' TYR . 5.6 p -114.91 153.91 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -126.05 131.06 52.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.63 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.535 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 1.1 tp -88.79 119.27 29.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.611 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 35.4 m -118.96 156.77 28.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 108.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.556 HG21 ' CE1' ' A' ' 47' ' ' TYR . 3.9 p -116.2 112.77 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -34.99 117.93 0.41 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -74.12 -50.72 18.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.56 ' CE1' ' HD2' ' A' ' 23' ' ' ARG . 56.2 m-85 -137.05 127.56 26.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 p -41.13 116.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.97 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -128.29 145.31 51.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.55 116.62 5.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.431 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.0 -29.15 8.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 42.2 m-85 -85.14 30.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.47 -25.22 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.58 177.35 23.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.481 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.02 1.56 7.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.481 ' C ' ' O ' ' A' ' 32' ' ' PRO . 3.0 m-20 -33.92 148.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' C ' ' HD3' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -100.0 -10.38 21.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.515 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -136.43 59.48 26.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.605 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -74.98 -33.59 4.49 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 3.4 pt-20 -61.94 -29.95 70.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -55.27 -48.32 74.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -82.16 -177.25 6.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.7 mt -130.27 141.75 43.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 92.87 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.442 HD12 ' CG1' ' A' ' 72' ' ' VAL . 14.8 mt -70.49 147.74 49.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.518 ' O ' ' C ' ' A' ' 44' ' ' ALA . 18.8 m -131.4 102.54 6.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.518 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -31.37 115.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.411 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.29 -42.97 1.78 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.06 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' THR . 32.1 mmtt -60.33 160.7 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.556 ' CE1' HG21 ' A' ' 21' ' ' VAL . 30.0 m-85 -117.07 173.11 6.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.92 155.13 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 63' ' ' GLU . 34.8 m-85 -107.27 108.86 20.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.531 ' CG2' ' HB3' ' A' ' 60' ' ' TYR . 1.3 p -96.25 106.06 17.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.438 ' N ' HG22 ' A' ' 17' ' ' VAL . 81.4 m-85 -72.12 140.6 48.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.29 -146.53 47.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -121.64 -177.15 3.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.409 ' HG2' ' N ' ' A' ' 59' ' ' PHE . 6.1 ttm -48.96 157.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.71 172.9 8.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.37 -13.94 23.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.73 -31.56 17.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.26 41.42 1.65 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.409 ' N ' ' HG2' ' A' ' 54' ' ' MET . 17.6 m-85 -135.08 164.41 27.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 110.982 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.543 ' CE2' ' HB3' ' A' ' 74' ' ' SER . 8.1 m-85 -104.94 137.91 41.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.436 ' N ' HG23 ' A' ' 50' ' ' VAL . 57.5 mt-10 -81.66 47.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -47.65 143.79 6.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' TYR . 24.6 tt0 -118.38 93.21 4.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -38.83 145.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.9 mt -54.69 -22.07 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -77.24 -24.4 51.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.96 -0.03 17.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -65.06 122.44 17.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -109.78 117.55 34.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.441 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -160.54 179.86 35.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.515 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 69.5 mt -69.71 162.89 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.534 ' CG1' HG12 ' A' ' 77' ' ' VAL . 53.4 t -158.76 122.64 2.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 129.9 12.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.543 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 80.2 p -66.62 -11.01 51.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.411 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 1.6 m-20 -87.12 -0.34 56.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.448 ' O ' ' CG1' ' A' ' 77' ' ' VAL . 5.1 m-85 -131.93 30.14 4.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.534 HG12 ' CG1' ' A' ' 72' ' ' VAL . 17.2 m -154.86 155.23 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -134.27 107.34 7.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.248 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.611 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.7 m-85 -46.67 91.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.535 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 2.3 p -73.96 167.56 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.483 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 61.7 mt-30 -142.75 134.34 26.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.16 -50.35 72.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -154.86 88.32 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.84 -66.69 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.36 109.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -62.58 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.07 176.89 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 65.89 61.54 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.5 152.66 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.6 t -172.35 153.44 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.417 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.28 140.61 21.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.95 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -89.23 136.05 13.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -53.25 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.95 81.87 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.77 89.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.48 166.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -85.59 171.94 11.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.1 -108.79 0.03 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -179.94 154.74 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.015 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 p -177.0 161.58 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.967 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.08 137.46 4.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.1 t -110.92 -14.67 13.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 110.419 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m 170.1 118.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 94' ' ' SER . 1.5 mtmt -106.93 -61.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -133.5 143.9 49.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -90.69 24.35 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.15 30.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.81 25.12 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.52 -167.11 28.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -61.52 164.24 6.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 18' ' ' HIS . 1.4 t -104.85 161.2 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.451 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 23.8 m-70 -150.66 100.15 2.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.54 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 4.1 tp -71.84 119.24 15.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.561 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 75.2 m -124.23 156.5 36.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.529 HG21 ' CD2' ' A' ' 47' ' ' TYR . 4.0 p -124.4 118.6 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.32 131.48 16.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 6.4 ttt180 -87.95 -28.46 21.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 31.5 m-85 -150.82 131.23 13.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.65 118.91 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.402 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 15.9 t80 -129.15 142.03 51.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.22 117.1 11.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.03 -29.58 8.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.586 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 49.4 m-85 -85.74 29.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 9.0 t0 -111.94 -27.67 8.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.44 176.72 31.6 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 0.77 8.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.6 m-20 -36.14 151.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.41 -7.8 18.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.498 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -136.86 60.2 28.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.586 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.97 -33.67 4.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.773 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.481 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -61.66 -31.05 71.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -56.64 -48.0 78.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -80.36 -173.46 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 62' ' ' GLY . 12.6 mt -135.06 143.28 45.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 93.6 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.467 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 10.0 mt -66.52 152.84 44.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.487 ' O ' ' C ' ' A' ' 44' ' ' ALA . 53.1 m -140.49 103.02 4.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.27 114.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 107.6 -44.87 1.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' THR . 23.3 mttt -51.95 159.8 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.784 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.529 ' CD2' HG21 ' A' ' 21' ' ' VAL . 40.1 m-85 -124.62 146.78 48.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.72 -171.88 2.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -142.23 116.92 9.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.598 HG13 ' CD1' ' A' ' 60' ' ' TYR . 3.7 t -90.1 127.0 42.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -100.85 86.16 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 18' ' ' HIS . . . 126.71 -152.33 18.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -116.03 -155.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.402 ' O ' ' HG2' ' A' ' 54' ' ' MET . 15.5 ttp -108.27 108.51 19.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.6 19.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 1.8 pt-20 -111.44 40.72 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 3.4 t70 87.49 4.18 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.77 32.3 3.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -118.63 163.7 16.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 111.061 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.598 ' CD1' HG13 ' A' ' 50' ' ' VAL . 5.5 m-85 -121.57 124.97 45.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.422 ' N ' HG12 ' A' ' 50' ' ' VAL . 54.4 mt-10 -67.97 63.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 40' ' ' LEU . . . -71.46 137.27 25.85 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.478 ' OE1' ' CG ' ' A' ' 69' ' ' ARG . 12.2 tt0 -109.23 95.9 5.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLU . 0.9 OUTLIER -40.02 153.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.6 mt -62.17 -14.86 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.42 -11.98 50.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.02 -2.79 40.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -60.07 120.94 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.273 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.478 ' CG ' ' OE1' ' A' ' 63' ' ' GLU . 6.4 mtt180 -108.82 119.12 38.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.239 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -165.9 -175.18 36.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.502 ' CD2' ' OE1' ' A' ' 56' ' ' GLU . 84.1 mt -77.77 161.68 27.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.534 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 96.5 t -153.75 126.93 4.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' A' ' 42' ' ' LEU . 18.3 Cg_endo -74.97 129.68 12.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.576 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 41.7 t -70.38 -5.44 28.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -91.21 -0.38 57.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.404 ' C ' HG11 ' A' ' 77' ' ' VAL . 6.6 m-85 -131.34 9.35 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.534 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 3.4 m -128.47 156.07 40.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -137.27 106.79 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 48.0 m-85 -49.52 89.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.54 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 2.5 p -73.21 170.26 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.506 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 14.4 pt20 -113.73 125.34 54.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -53.3 42.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 50.81 98.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.21 -53.09 2.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.237 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.5 t -176.54 136.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -59.57 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -95.51 133.2 39.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -164.31 177.67 8.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.83 168.43 19.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.6 t -158.01 143.62 17.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.7 p -132.8 159.25 40.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.22 81.91 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -65.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.532 1.806 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.408 ' O ' ' NZ ' ' A' ' 10' ' ' LYS . 47.8 t -174.26 -52.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.053 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.8 t 178.98 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.983 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.17 84.16 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -162.49 143.99 10.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.3 116.66 0.76 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 p -174.91 118.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 p -152.06 91.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.3 81.73 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -59.88 -16.1 26.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.396 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.6 m -76.31 126.29 30.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -76.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' ARG . 64.3 mt-30 -109.59 120.43 42.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' GLN . 1.4 mmm180 36.59 -151.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -73.79 55.93 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.0 t -88.33 -25.56 22.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' LYS . . . -64.33 134.49 39.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -40.07 156.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.449 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 2.0 t -102.0 159.13 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 33.8 m-70 -147.41 98.8 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 80' ' ' VAL . 29.9 tp -72.0 107.7 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.603 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 59.9 m -114.06 151.12 32.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.334 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 45' ' ' GLY . 3.3 p -119.69 112.56 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.92 129.38 2.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 14.1 ttt180 -87.95 -29.95 20.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 32.4 m-85 -149.41 130.05 14.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.81 114.9 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.407 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 27.5 t80 -125.04 142.43 51.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.46 117.16 12.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -29.93 7.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.624 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.3 m-85 -87.12 32.42 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -111.6 -22.64 11.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.36 -175.08 22.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.94 0.05 9.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -38.8 118.79 0.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -78.96 -5.9 54.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.5 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -137.3 60.33 26.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.624 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.99 -32.94 4.97 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.517 1.798 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.7 pt-20 -62.29 -27.91 69.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -57.34 -49.12 77.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -81.4 -172.48 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.443 ' HG ' ' CA ' ' A' ' 70' ' ' GLY . 12.5 mt -134.02 142.13 42.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.58 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.479 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 10.3 mt -65.11 154.55 37.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.473 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.4 m -142.37 103.63 4.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.092 . . . . 0.0 110.439 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -35.17 115.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.473 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 107.45 -45.52 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt -54.47 160.85 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.445 ' CD1' HG21 ' A' ' 21' ' ' VAL . 29.3 m-85 -119.32 156.23 30.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.06 159.93 43.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.421 ' CE1' HD11 ' A' ' 19' ' ' LEU . 51.7 m-85 -117.99 117.77 30.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.588 HG11 ' CD1' ' A' ' 60' ' ' TYR . 3.1 t -95.31 117.38 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.423 ' CE1' HG23 ' A' ' 17' ' ' VAL . 37.9 m-85 -90.94 91.2 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.44 ' O ' ' CD2' ' A' ' 18' ' ' HIS . . . 116.62 -164.57 12.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 111.049 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -100.9 -174.29 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.442 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -48.44 156.18 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -90.97 172.97 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -56.37 -30.03 62.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.77 -20.03 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.81 33.93 4.23 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -114.05 162.97 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 0.801 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.588 ' CD1' HG11 ' A' ' 50' ' ' VAL . 5.3 m-85 -109.61 130.37 55.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.414 ' N ' HG13 ' A' ' 50' ' ' VAL . 87.3 mt-10 -78.43 56.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.35 144.25 45.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.4 OUTLIER -112.75 92.78 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.759 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -39.94 146.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 41.7 mt -55.89 -19.25 11.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -18.76 41.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.84 -3.2 25.87 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.403 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 1.6 tt0 -60.19 125.74 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -116.09 111.58 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.443 ' CA ' ' HG ' ' A' ' 40' ' ' LEU . . . -156.55 179.4 32.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.135 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' ALA . 55.9 mt -71.9 146.0 48.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 60' ' ' TYR . 75.7 t -139.08 126.17 12.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.479 ' HD2' ' CD1' ' A' ' 42' ' ' LEU . 18.2 Cg_endo -74.96 128.21 11.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.564 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 75.4 p -68.69 -7.42 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -90.69 0.87 57.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.407 ' CE2' ' HD2' ' A' ' 26' ' ' TYR . 6.3 m-85 -131.97 15.23 4.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.44 HG13 ' CG1' ' A' ' 72' ' ' VAL . 4.2 m -138.11 152.66 26.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.09 107.3 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.603 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.2 m-85 -49.1 104.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.458 ' CG2' ' HB ' ' A' ' 21' ' ' VAL . 3.9 t -64.89 -179.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.44 ' H ' ' CG1' ' A' ' 80' ' ' VAL . 54.0 mt-30 -128.87 -118.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' ASN . 3.3 t70 69.35 -65.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 85' ' ' SER . 10.0 p30 -40.64 -40.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.77 -59.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 83' ' ' ASN . 82.6 p -154.54 142.14 19.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.522 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.07 4.54 53.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.522 ' C ' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER 31.32 91.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -174.25 57.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 t -172.64 160.95 4.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.5 t -141.51 132.99 26.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.8 p -162.02 172.42 15.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.1 -173.37 6.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 179.45 6.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.56 145.06 12.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.4 t -105.65 157.85 17.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.14 82.25 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.34 -58.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.019 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.15 -134.22 13.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.33 154.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 110.013 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t 74.33 -57.97 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.08 -100.79 2.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -171.68 151.73 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.403 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.25 145.21 8.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.066 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -106.39 -64.48 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -131.4 -177.15 4.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.85 15.02 25.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.474 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 23.1 p90 -160.08 55.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 t -165.02 -48.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.55 126.73 32.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 155.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.681 ' CG1' ' CE2' ' A' ' 51' ' ' TYR . 27.6 m -84.89 163.82 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.536 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 79.3 m-70 -133.03 80.34 1.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.633 ' H ' ' ND2' ' A' ' 83' ' ' ASN . 9.4 tp -38.59 123.4 1.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.618 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 91.3 m -125.34 179.7 4.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.582 HG23 ' CE1' ' A' ' 47' ' ' TYR . 3.5 p -142.35 104.76 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -38.26 127.06 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.521 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 40.9 ttt180 -85.27 -27.09 26.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.521 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 27.7 m-85 -152.44 129.92 11.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.83 116.46 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.4 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 25.6 t80 -126.44 141.26 51.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.06 117.1 11.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.14 9.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 2.8 m-85 -87.35 32.02 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.66 -21.04 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.04 -176.09 22.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.01 -0.5 10.05 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.504 1.791 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -38.85 119.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -79.31 -4.9 53.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.502 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -137.57 60.25 24.7 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.632 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.97 -32.05 5.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -63.67 -26.4 68.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -57.74 -48.14 80.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -84.41 -176.78 6.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.508 ' CD2' ' NE2' ' A' ' 68' ' ' GLN . 9.2 mt -129.38 141.98 43.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 92.81 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.6 mt -67.48 146.07 54.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 44' ' ' ALA . 20.6 m -132.52 105.39 7.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -32.27 117.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.499 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 102.93 -46.8 1.17 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.421 1.076 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' THR . 51.7 mmtt -55.66 155.36 5.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.582 ' CE1' HG23 ' A' ' 21' ' ' VAL . 11.3 m-85 -115.13 172.52 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.73 160.03 24.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 63' ' ' GLU . 39.6 m-85 -110.71 111.36 22.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.595 HG23 ' CD1' ' A' ' 60' ' ' TYR . 1.2 p -103.66 112.65 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.681 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 91.4 m-85 -78.21 134.55 37.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.13 172.48 10.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.36 -162.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.2 ptp -58.85 152.15 19.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.55 -161.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.365 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.2 -27.98 47.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.54 -23.51 24.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.3 11.52 29.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -96.84 160.27 14.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' HG23 ' A' ' 50' ' ' VAL . 4.1 m-85 -108.13 136.74 47.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 50' ' ' VAL . 78.8 mt-10 -80.89 51.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.257 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.9 148.29 23.8 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.6 tt0 -122.52 95.42 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -38.13 147.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.5 mt -57.22 -21.26 32.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.16 -20.07 61.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.56 5.96 27.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.508 ' NE2' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -62.99 170.04 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -150.86 109.49 3.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -158.83 179.41 34.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.5 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 88.3 mt -71.66 163.18 28.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.52 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 75.1 t -157.62 124.43 2.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 133.38 16.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.569 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 28.9 t -71.67 -4.12 25.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 4.6 t30 -92.11 -8.02 46.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.4 ' CE2' ' HD2' ' A' ' 26' ' ' TYR . 11.0 m-85 -122.94 12.85 9.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.52 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 5.1 m -134.5 144.59 34.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.46 106.99 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.618 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.2 m-85 -47.56 123.83 6.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 t -77.83 -155.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.449 ' C ' ' N ' ' A' ' 83' ' ' ASN . 14.8 pt20 -130.25 -35.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.498 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 12.4 t70 -40.7 -28.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.633 ' ND2' ' H ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -80.57 53.94 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.79 -58.91 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 83' ' ' ASN . 19.4 m -39.17 129.73 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.548 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -135.45 -45.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.548 ' N ' ' CD ' ' A' ' 86' ' ' ARG . 0.2 OUTLIER 38.02 -155.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.44 146.61 29.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.17 127.7 2.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 t -109.13 -32.68 7.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 110.429 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.24 116.75 5.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 168.73 98.15 0.12 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.76 39.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.59 141.35 55.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m -133.3 151.06 51.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m 67.42 101.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 109.959 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -140.32 -58.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.8 -175.87 42.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.135 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 p -96.63 172.04 8.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 p -140.19 151.95 45.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.85 66.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.5 t -174.01 -38.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 110.383 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m 77.71 100.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -101.2 -60.36 1.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.519 ' OE1' ' CZ ' ' A' ' 13' ' ' TYR . 44.8 mt-30 -133.8 171.18 14.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.1 mmt-85 -116.03 32.88 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 27.7 p90 -170.49 56.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.0 t -178.56 -39.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.98 143.18 3.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.11 155.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.282 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.555 ' CG1' ' CE2' ' A' ' 51' ' ' TYR . 24.1 m -87.81 165.41 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -133.8 85.06 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.582 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.504 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 8.6 tp -40.52 114.41 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.553 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 69.4 m -120.65 158.8 26.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.512 1.132 . . . . 0.0 108.3 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.593 HG22 ' CE1' ' A' ' 47' ' ' TYR . 3.8 p -126.23 110.33 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -40.32 131.61 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.493 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 19.3 ttt180 -86.54 -25.97 24.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.493 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 32.1 m-85 -154.82 131.99 11.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.4 130.64 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.493 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 11.0 t80 -126.37 154.2 43.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 111.033 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.419 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -148.35 96.73 3.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.76 11.52 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.656 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 2.4 m-85 -91.08 26.9 2.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -110.37 -28.24 8.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.83 -176.03 35.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.135 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.96 -0.07 9.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.552 1.817 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -39.17 116.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -79.25 -3.85 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.494 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -137.14 60.52 28.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.656 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -74.98 -37.14 2.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 3.0 pt-20 -61.71 -30.62 70.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -56.04 -43.14 77.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -90.24 -177.58 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.9 mt -129.26 137.16 30.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.54 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.493 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -61.05 170.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.579 ' O ' ' C ' ' A' ' 44' ' ' ALA . 16.8 m -157.6 94.04 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.408 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.579 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -25.05 115.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.5 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.28 -48.11 1.0 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' THR . 29.8 mmtt -50.25 162.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.593 ' CE1' HG22 ' A' ' 21' ' ' VAL . 36.4 m-85 -125.71 158.19 35.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.19 167.89 27.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 63' ' ' GLU . 52.5 m-85 -118.9 115.38 24.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.57 HG21 ' CD1' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -105.9 112.53 39.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.555 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 84.0 m-85 -77.76 135.19 37.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.4 175.9 18.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -79.86 -166.79 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -44.51 154.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 111.039 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' PHE . 23.7 t0 -87.19 170.31 11.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -46.69 -39.56 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.5 -26.18 28.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.35 -14.56 8.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' ASP . 11.0 m-85 -69.26 164.6 22.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.57 ' CD1' HG21 ' A' ' 50' ' ' VAL . 4.1 m-85 -111.3 132.12 54.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.427 ' N ' HG23 ' A' ' 50' ' ' VAL . 49.9 mt-10 -77.31 60.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.47 155.45 36.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' TYR . 35.1 tt0 -128.71 95.94 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.64 147.27 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.92 -17.62 17.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -80.88 -26.75 36.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.75 -2.74 11.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.76 122.46 15.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -110.79 116.31 31.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -160.5 -179.97 35.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.499 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 89.5 mt -70.77 162.43 29.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.596 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 77.3 t -157.58 123.86 2.51 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.18 17.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.555 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 25.5 t -73.61 -0.92 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 4.5 t30 -93.69 -9.13 38.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -122.4 6.95 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.596 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 3.0 m -126.84 147.29 31.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.28 105.95 8.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 54.0 m-85 -48.66 103.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.504 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -86.69 163.65 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.482 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 7.0 pt20 -66.65 -146.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 1.4 t0 179.81 -51.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 179.56 113.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.41 -53.02 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.7 m -69.09 99.9 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.21 -55.71 0.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mt -105.66 173.65 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.22 174.74 13.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.5 t -51.32 116.85 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.948 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.8 t -76.23 -40.49 51.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 54.13 103.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.06 156.54 20.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.01 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.1 t 63.49 139.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.0 m -101.43 -59.69 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.26 158.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.754 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -177.93 148.77 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.6 -158.42 27.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.546 1.153 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.3 m -43.48 146.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.98 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 m -91.25 -58.43 2.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.98 -160.93 44.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.5 t -157.14 137.79 13.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 m 47.93 83.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -63.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -131.76 -175.49 3.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.36 23.39 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 21.1 p90 -169.56 52.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.9 t -160.84 -44.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.12 145.72 29.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.76 161.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.679 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 2.5 t -105.09 161.83 4.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.468 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 12.0 m-70 -152.51 101.25 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.574 HD12 ' CE1' ' A' ' 49' ' ' TYR . 5.5 tp -65.35 118.05 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.601 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 53.2 m -118.93 152.59 36.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.262 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.536 HG22 ' CD1' ' A' ' 47' ' ' TYR . 4.2 p -120.61 125.03 73.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.92 126.83 19.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 40.0 ttt180 -85.63 -27.41 25.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 30.7 m-85 -153.71 128.94 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.09 127.26 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -140.58 140.61 35.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.34 116.8 12.14 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.39 6.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.612 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 4.2 m-85 -86.34 31.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.05 -16.53 12.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.2 -174.92 19.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.97 -1.21 10.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -39.43 118.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.86 -5.06 52.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.499 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -137.52 60.33 25.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.612 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.99 -33.24 4.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.772 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.4 pt-20 -62.25 -28.49 69.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -58.15 -45.63 87.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -83.54 -171.1 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.346 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' ' 68' ' ' GLN . 11.7 mt -135.63 141.5 37.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 91.84 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.768 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.479 ' CD2' HG13 ' A' ' 72' ' ' VAL . 14.0 mt -66.24 153.16 43.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.616 ' O ' ' C ' ' A' ' 44' ' ' ALA . 6.7 m -143.22 94.7 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.616 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -22.13 113.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.95 -42.76 1.84 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.498 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 11.8 mttm -49.88 169.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.536 ' CD1' HG22 ' A' ' 21' ' ' VAL . 63.2 m-85 -130.05 163.54 26.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.81 160.25 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.574 ' CE1' HD12 ' A' ' 19' ' ' LEU . 50.8 m-85 -114.9 122.4 46.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.595 HG11 ' CD1' ' A' ' 60' ' ' TYR . 1.7 t -97.55 108.06 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.679 ' CE1' ' CG2' ' A' ' 17' ' ' VAL . 75.0 m-85 -87.0 112.77 22.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.68 -107.67 2.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -176.42 -173.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 0.741 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.3 mtm -42.24 148.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -102.59 -174.54 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 7.6 mt-10 -78.17 79.75 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 2.9 m-20 161.72 -37.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.09 49.49 0.41 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -133.45 159.85 39.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.595 ' CD1' HG11 ' A' ' 50' ' ' VAL . 1.8 m-85 -107.22 138.21 43.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 50' ' ' VAL . 86.2 mt-10 -82.17 60.27 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.03 156.02 29.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -134.25 101.92 5.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 0.734 . . . . 0.0 110.343 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 68' ' ' GLN . 0.6 OUTLIER -44.75 148.42 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' A' ' 47' ' ' TYR . 5.6 mp -57.32 -16.9 9.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.6 -20.84 28.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.73 -27.31 5.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 64' ' ' LEU . 1.5 tt0 -54.21 115.32 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 3.1 ptp85 -118.41 146.19 44.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -169.58 -161.74 20.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.145 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' ALA . 52.9 mt -81.06 150.13 28.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.479 HG13 ' CD2' ' A' ' 42' ' ' LEU . 21.5 t -153.08 130.18 5.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 131.31 14.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.5 p -69.17 -6.28 27.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.416 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 1.1 m-20 -92.29 0.41 57.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 75' ' ' ASN . 5.7 m-85 -132.86 24.46 4.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.459 HG12 ' CG1' ' A' ' 72' ' ' VAL . 9.4 m -144.67 160.31 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -142.57 107.15 4.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.601 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.1 m-85 -49.34 90.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.528 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 1.3 p -72.3 162.8 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.459 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 4.6 pt20 -63.96 -145.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -179.04 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.4 m120 50.95 83.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.223 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.54 -31.53 9.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 m 47.62 83.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.966 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.53 -64.46 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.1 mt -94.59 169.83 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.357 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.86 179.12 4.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.9 m -91.2 170.67 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.5 t -164.56 148.86 9.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.0 p -54.91 163.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -138.98 -179.74 17.68 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 157.37 42.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.13 107.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.99 83.06 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -174.5 143.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 109.983 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -67.04 154.19 41.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.067 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.21 -144.4 6.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 m 61.45 116.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.4 m -125.59 162.67 24.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.15 -129.0 5.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 p -86.7 106.68 17.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.54 143.75 26.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.982 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.65 19.68 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -104.67 -170.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 13' ' ' TYR . 10.2 mmt180 -100.06 142.49 31.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CE1' ' OE1' ' A' ' 61' ' ' GLU . 57.4 m-85 37.38 46.34 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.64 18.19 6.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.042 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.07 149.28 27.82 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -41.41 156.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.754 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.657 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.6 t -93.25 159.71 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 26.4 m-70 -148.97 108.72 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.451 ' HG ' ' CG2' ' A' ' 80' ' ' VAL . 9.0 tp -71.42 125.74 27.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.603 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 85.1 m -126.23 173.06 9.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.584 HG21 ' CD2' ' A' ' 47' ' ' TYR . 2.6 p -142.69 105.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -38.91 119.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.59 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 13.4 ttt180 -79.29 -25.71 42.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 31.7 m-85 -154.48 123.44 6.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 t -45.1 136.02 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 27' ' ' ASN . 6.0 t80 -147.57 148.62 31.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.468 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -138.68 119.06 9.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.62 5.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.448 1.762 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.625 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.9 m-85 -86.35 30.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.53 -13.43 12.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.42 -174.16 17.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.95 -0.08 9.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 m-20 -39.43 120.05 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -81.03 -6.09 58.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.495 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -138.48 60.37 20.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.625 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.89 -32.93 5.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 3.1 pt-20 -62.29 -27.51 69.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 37' ' ' GLU . . . -60.86 -45.42 94.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -83.69 -173.85 4.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.7 mt -132.88 143.38 48.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 92.24 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.402 HD21 ' CG1' ' A' ' 72' ' ' VAL . 12.8 mt -64.74 155.59 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 44' ' ' ALA . 68.5 m -144.38 105.12 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.437 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.497 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -33.18 115.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.501 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.38 -48.01 1.01 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' CG ' ' HB ' ' A' ' 43' ' ' THR . 20.2 mttt -48.39 151.56 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.584 ' CD2' HG21 ' A' ' 21' ' ' VAL . 54.7 m-85 -115.48 149.03 38.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.81 170.29 15.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' GLU . 50.1 m-85 -123.9 121.56 35.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.586 HG13 ' CD1' ' A' ' 60' ' ' TYR . 2.6 t -95.29 117.3 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.657 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 21.7 m-85 -95.78 103.66 15.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.82 -131.41 10.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.2 -169.25 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.786 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.35 127.72 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -76.97 169.01 19.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.3 -15.94 18.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -98.43 -16.42 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.31 44.48 3.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -134.12 176.61 8.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 74' ' ' SER . 4.8 m-85 -111.02 132.34 54.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.545 ' OE1' ' CE1' ' A' ' 13' ' ' TYR . 65.2 mt-10 -80.39 60.17 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.72 143.13 45.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.564 1.165 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' TYR . 25.5 tt0 -115.73 91.24 3.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 0.778 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -37.85 144.73 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.3 mt -51.75 -23.85 5.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -33.13 59.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 128.53 -4.8 6.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.4 123.04 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.284 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -110.46 110.22 20.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.96 -177.18 25.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.586 1.178 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.502 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 76.5 mt -75.75 162.28 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.552 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 72.6 t -157.64 127.52 3.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 134.21 17.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.587 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 82.4 p -74.52 -2.29 25.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.416 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -96.33 1.9 52.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 8.0 m-85 -135.05 13.31 3.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.552 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 8.2 m -137.79 145.58 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -128.42 129.22 45.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.603 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.9 m-85 -66.6 54.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.554 ' C ' ' O ' ' A' ' 79' ' ' PHE . 2.2 t 27.93 -139.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -136.62 -109.24 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 110.312 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' CG ' ' A' ' 83' ' ' ASN . 15.1 t0 71.92 -59.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.4 ' CG ' ' C ' ' A' ' 82' ' ' ASP . 2.4 m120 -164.04 99.67 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.76 -52.68 5.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.7 t -153.19 139.97 19.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.505 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -90.18 4.55 50.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.505 ' C ' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER 31.35 91.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -169.85 128.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.93 158.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -166.08 135.33 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.394 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.59 132.01 52.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -127.16 -84.61 0.5 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -56.45 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.546 1.814 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' GLY . 0.7 OUTLIER 55.74 -94.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.955 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 m 68.39 -69.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.26 90.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 110.043 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.16 158.7 16.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.953 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.65 -155.0 29.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 t -150.56 156.33 41.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.975 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.9 p -49.69 162.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.83 -119.6 3.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -173.29 153.7 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 110.433 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.8 p -103.78 118.12 35.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -103.37 -65.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -131.24 -176.27 3.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.459 ' HB3' ' CD2' ' A' ' 13' ' ' TYR . 1.6 mtt85 -77.2 140.85 40.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 69' ' ' ARG . 40.8 m-85 43.63 44.3 5.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.0 t -128.01 -48.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.975 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.61 164.14 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -42.92 164.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.557 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.4 t -102.54 158.98 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 9.1 m-70 -146.89 108.0 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.621 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.529 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 6.3 tp -70.72 120.87 16.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.489 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 77.8 m -123.31 156.74 34.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 108.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 45' ' ' GLY . 4.2 p -128.5 117.34 44.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.03 131.74 9.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 41.9 ttt180 -89.16 -27.99 20.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 26.6 m-85 -149.18 129.15 13.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.8 123.68 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -137.13 143.6 42.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.32 118.14 13.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.33 8.34 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.618 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.1 m-85 -87.26 30.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.07 -16.27 13.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.62 -175.82 19.61 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -74.99 -0.81 10.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -39.52 118.47 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.78 -4.84 51.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.497 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -137.59 60.38 25.29 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.618 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.1 Cg_endo -75.0 -34.04 4.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.8 pt-20 -62.03 -28.72 69.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -58.26 -47.02 84.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.0 -172.26 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 mt -134.47 143.54 47.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 90.95 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.468 ' CD1' ' HD2' ' A' ' 73' ' ' PRO . 4.2 mt -61.97 145.53 52.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.7 m -138.6 100.31 4.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -31.43 108.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.513 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 114.09 -45.0 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' THR . 13.9 mttt -46.19 162.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.741 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.477 ' CD1' HG21 ' A' ' 21' ' ' VAL . 80.6 m-85 -124.01 146.07 48.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.9 164.14 34.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.5 ' O ' ' N ' ' A' ' 63' ' ' GLU . 63.5 m-85 -122.32 124.17 43.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.629 HG12 ' CD1' ' A' ' 60' ' ' TYR . 2.1 t -96.98 116.58 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.557 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 38.9 m-85 -94.08 98.59 11.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.94 171.95 25.38 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.426 1.079 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -70.16 -157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.417 ' HG3' ' HA2' ' A' ' 58' ' ' GLY . 0.8 OUTLIER -63.03 149.53 44.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -76.7 178.17 6.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -52.99 -31.83 43.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.54 -19.25 21.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.417 ' HA2' ' HG3' ' A' ' 54' ' ' MET . . . 116.26 -19.03 13.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.433 1.083 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -58.48 165.74 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 0.745 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.629 ' CD1' HG12 ' A' ' 50' ' ' VAL . 2.2 m-85 -107.47 121.13 44.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.84 59.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.75 148.76 41.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.8 OUTLIER -115.6 111.75 21.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.495 ' HB2' ' CB ' ' A' ' 68' ' ' GLN . 3.9 mt -52.96 -172.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.1 mt -86.36 -38.88 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -68.56 -22.92 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.78 4.69 9.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.495 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -61.04 120.18 9.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.563 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 66.8 mtt180 -111.83 104.27 12.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.25 -173.82 13.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 38' ' ' ALA . 82.3 mt -80.17 159.07 26.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.514 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 47.5 t -154.72 129.45 4.91 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.468 ' HD2' ' CD1' ' A' ' 42' ' ' LEU . 18.3 Cg_endo -75.01 133.61 16.78 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.79 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.57 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 86.3 p -74.62 -1.93 23.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.03 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.42 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 14.4 m-20 -97.06 1.47 50.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 6.8 m-85 -134.79 14.32 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.514 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 4.4 m -129.64 154.35 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -135.92 106.17 6.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.489 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 40.2 m-85 -50.02 89.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.529 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 1.4 p -70.16 166.23 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.505 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 83.5 mt-30 -137.94 135.71 36.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.1 -52.01 5.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 50.33 96.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.11 -45.79 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 m -166.54 -177.04 3.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 87' ' ' LEU . 8.6 mmt180 -107.58 10.87 29.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER 38.42 -158.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.22 176.7 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.57 174.8 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -158.86 141.82 14.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 110.426 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 t -41.96 133.22 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -147.8 173.36 27.89 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.446 1.092 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -178.14 3.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.3 t -172.02 168.44 5.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.6 m -145.25 170.05 17.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 p -174.18 135.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 0.726 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -147.33 -58.63 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.137 . . . . 0.0 109.956 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.76 -94.3 0.1 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -41.08 136.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 110.046 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -163.76 153.57 14.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.55 168.05 13.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.5 p -143.2 -171.24 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 110.436 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 10' ' ' LYS . 14.5 p -165.75 -175.77 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.972 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER 35.45 74.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 5.9 mm-40 -142.69 148.21 36.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.39 42.36 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 179.16 36.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.82 26.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.4 -145.75 5.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 159.1 31.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.7 ' CG2' ' CE2' ' A' ' 51' ' ' TYR . 4.9 t -120.85 147.63 24.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -125.89 76.77 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.527 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 1.7 tp -44.26 120.64 2.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.548 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 6.5 m -117.49 166.91 11.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 108.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.577 HG21 ' CD1' ' A' ' 47' ' ' TYR . 3.5 p -133.66 101.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -39.27 127.88 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -90.39 -32.75 16.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -138.2 130.09 28.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.14 105.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.4 ' HD1' ' CE2' ' A' ' 76' ' ' PHE . 53.2 t80 -105.69 138.27 42.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -137.02 108.78 8.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.431 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.01 -33.04 4.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 34.2 m-85 -84.27 27.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -111.86 -29.27 7.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.84 177.88 33.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.0 0.99 8.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 m-20 -34.96 148.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' C ' ' HD3' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -101.21 -11.58 19.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.495 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -135.09 60.26 38.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -75.02 -34.85 3.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -61.51 -27.33 68.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -62.03 -47.0 86.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.32 -173.51 3.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.43 ' CD1' ' O ' ' A' ' 68' ' ' GLN . 11.4 mt -134.65 139.1 31.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 90.31 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.484 HD13 ' CG1' ' A' ' 72' ' ' VAL . 51.5 mt -67.94 154.95 40.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.554 ' O ' ' C ' ' A' ' 44' ' ' ALA . 18.9 m -136.75 99.26 4.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 110.366 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.554 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -27.76 116.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.51 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 104.06 -47.82 1.05 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.48 1.112 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' THR . 22.7 mmtt -51.85 163.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.577 ' CD1' HG21 ' A' ' 21' ' ' VAL . 49.2 m-85 -119.27 159.47 24.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.627 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -154.74 154.02 32.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.4 m-85 -106.08 112.56 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.59 HG23 ' CD1' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -106.59 116.98 51.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 17' ' ' VAL . 69.1 m-85 -86.93 135.55 33.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.5 -168.59 54.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -106.12 -172.93 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.417 ' SD ' ' CZ ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -46.57 145.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -85.88 -178.38 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.09 -23.18 67.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.25 -28.22 20.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.59 36.85 2.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 71' ' ' LEU . 9.6 m-85 -123.39 164.77 18.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.59 ' CD1' HG23 ' A' ' 50' ' ' VAL . 1.9 m-85 -111.8 128.36 56.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.419 ' N ' HG22 ' A' ' 50' ' ' VAL . 45.4 mt-10 -71.61 61.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -64.94 152.88 50.71 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' TYR . 33.5 tt0 -129.71 89.14 2.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 110.365 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -38.04 150.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.56 -15.36 37.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -82.74 -14.23 54.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.6 -2.84 36.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.43 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 1.8 tt0 -61.13 119.32 8.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 0.761 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -109.23 129.73 55.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -177.57 -163.97 30.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ALA . 83.5 mt -82.04 163.86 21.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.59 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 96.1 t -155.62 124.07 2.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.23 11.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.444 1.76 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.473 ' HA ' ' CG2' ' A' ' 77' ' ' VAL . 76.2 p -68.37 -7.86 35.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.412 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 1.3 t-20 -89.09 -0.1 57.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.437 ' C ' HG13 ' A' ' 77' ' ' VAL . 4.8 m-85 -133.02 11.62 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.59 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 3.2 m -130.0 146.01 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -129.34 106.83 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.548 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.2 m-85 -47.75 92.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.527 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 2.4 p -74.93 167.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.484 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 73.0 mt-30 -141.92 133.84 27.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.29 -56.63 7.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' GLU . 46.5 m-20 -141.36 90.28 2.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -38.6 -67.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.1 t 63.32 115.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.558 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -48.92 -46.41 43.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.558 ' N ' ' CD ' ' A' ' 86' ' ' ARG . 0.2 OUTLIER 38.5 -155.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.61 167.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.87 142.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.2 t -171.02 140.7 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.9 t -162.25 169.18 21.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.6 96.55 0.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 134.37 17.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.441 1.759 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.7 p -161.03 119.65 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.963 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.18 92.21 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -171.18 -50.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 0.805 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.7 m 57.35 165.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.13 -153.73 14.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 p -137.41 -60.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.63 171.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.75 -143.03 5.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 9' ' ' SER . 59.1 p -107.51 85.13 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 110.38 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' THR . 2.6 m 59.64 117.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -114.78 -65.66 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -128.3 -178.18 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -55.15 -166.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.633 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 8.4 p90 -65.99 57.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -108.25 -17.85 13.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.029 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.54 162.91 40.43 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.85 163.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.5 ' CG2' ' CE2' ' A' ' 51' ' ' TYR . 2.0 t -100.27 159.59 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.434 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 15.5 m-70 -142.78 114.13 7.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.634 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' A' ' 49' ' ' TYR . 11.7 tp -74.46 115.69 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.557 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 64.3 m -121.54 156.72 32.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.323 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.575 HG21 ' CD1' ' A' ' 47' ' ' TYR . 4.7 p -121.88 116.11 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.21 119.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.565 ' NE ' ' CZ ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -69.15 -52.7 25.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.565 ' CZ ' ' NE ' ' A' ' 23' ' ' ARG . 55.2 m-85 -134.86 133.95 40.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 t -42.85 139.61 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.546 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 8.2 t80 -141.44 148.76 40.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.79 92.5 4.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -25.02 12.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.54 1.811 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 15.3 m-85 -85.98 19.21 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -110.48 -20.65 12.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.07 179.82 31.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.02 0.24 9.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 m-20 -38.85 125.86 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.404 ' C ' ' HD3' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -83.48 -11.24 57.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.267 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.493 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -135.07 60.76 42.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.592 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.99 -34.03 4.14 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -61.68 -26.51 68.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 37' ' ' GLU . . . -67.75 -8.21 33.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -124.67 172.93 8.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.444 ' O ' HD11 ' A' ' 42' ' ' LEU . 10.1 mt -123.47 135.6 26.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 84.68 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -51.35 163.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.649 ' O ' ' C ' ' A' ' 44' ' ' ALA . 11.8 m -149.81 86.22 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.423 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.649 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -17.6 112.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.444 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 108.59 -41.96 2.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 111.063 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -51.92 159.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.575 ' CD1' HG21 ' A' ' 21' ' ' VAL . 66.8 m-85 -125.69 144.41 50.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.87 -173.79 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.584 ' CE1' HD12 ' A' ' 19' ' ' LEU . 73.8 m-85 -137.39 119.61 15.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.604 HG12 ' CD1' ' A' ' 60' ' ' TYR . 1.8 t -94.69 105.82 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.5 ' CE2' ' CG2' ' A' ' 17' ' ' VAL . 35.6 m-85 -80.97 117.05 21.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.434 ' O ' ' NE2' ' A' ' 18' ' ' HIS . . . 95.32 -125.69 8.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -152.01 -171.99 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 53' ' ' ASP . 7.6 mtm -35.92 129.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -76.02 -176.3 3.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -48.82 -46.14 41.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.92 -20.52 27.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.33 -29.6 6.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -44.53 155.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.604 ' CD1' HG12 ' A' ' 50' ' ' VAL . 7.7 m-85 -100.65 123.15 44.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -76.07 55.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.39 137.35 42.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' TYR . 4.1 tt0 -105.42 95.01 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.402 ' HB2' ' CB ' ' A' ' 68' ' ' GLN . 0.3 OUTLIER -40.03 153.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.1 mt -57.96 -21.96 46.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -82.27 -19.25 39.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.29 -4.64 25.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.402 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -54.92 124.3 16.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -108.41 101.33 10.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.88 165.13 26.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.9 mt -66.25 157.26 31.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.491 ' CG1' HG12 ' A' ' 77' ' ' VAL . 46.5 t -152.84 126.06 4.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.97 129.07 12.02 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.545 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 84.3 p -59.94 -15.12 19.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -84.62 -1.94 56.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CG ' ' HG2' ' A' ' 73' ' ' PRO . 6.4 m-85 -130.18 37.01 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.491 HG12 ' CG1' ' A' ' 72' ' ' VAL . 15.8 m -156.26 165.08 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.506 ' CB ' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -148.57 105.71 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.557 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 52.8 m-85 -50.59 88.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.524 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 1.2 p -69.76 164.85 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.493 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 10.3 pt20 -64.02 -145.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -176.94 -55.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -169.41 107.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -47.24 6.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.9 p -61.29 104.24 0.37 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.62 -55.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.01 169.32 8.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.8 103.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 t -179.19 90.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -160.18 147.19 16.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.2 p -94.9 124.7 39.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.36 -167.06 21.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.89 30.36 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.2 p -96.55 162.62 13.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.3 m -48.27 -58.49 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.05 144.38 35.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.0 p 179.56 156.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.04 124.7 2.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.04 165.71 4.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.961 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m 59.67 86.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.47 150.19 20.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.4 p -150.14 -172.69 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.371 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.2 m -70.79 87.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.053 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -77.26 -66.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -134.39 139.55 45.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -103.52 69.78 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 174.51 -33.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.79 18.41 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.09 -179.15 36.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -57.6 166.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.529 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 2.1 t -109.61 159.73 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.48 ' ND1' ' O ' ' A' ' 17' ' ' VAL . 14.7 m-70 -151.35 105.59 3.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.578 HD11 ' CE1' ' A' ' 49' ' ' TYR . 2.1 tp -74.16 120.65 20.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.501 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 1.6 m -116.06 166.88 11.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.298 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.594 HG21 ' CD1' ' A' ' 47' ' ' TYR . 3.5 p -138.22 101.3 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.371 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -33.06 124.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -82.7 -50.82 8.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.473 ' O ' ' CB ' ' A' ' 25' ' ' SER . 62.3 m-85 -126.03 -1.82 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.481 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER 82.93 -179.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.41 ' OH ' ' OE2' ' A' ' 39' ' ' GLU . 37.7 t80 178.72 105.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.05 114.36 65.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -32.58 5.25 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 5.3 m-85 -86.46 34.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -113.23 -28.33 7.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.62 -177.3 31.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.03 0.97 8.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.7 m-20 -36.24 151.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.77 -8.94 15.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.501 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -136.55 60.14 29.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.601 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -75.04 -33.53 4.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.795 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.7 pt-20 -60.46 -27.36 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -60.77 -40.07 91.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' OE2' ' OH ' ' A' ' 26' ' ' TYR . 24.8 mt-10 -89.34 -176.15 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 68' ' ' GLN . 10.3 mt -127.98 138.18 32.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 18.3 Cg_endo -74.98 86.49 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.472 HD12 ' CG1' ' A' ' 77' ' ' VAL . 31.3 mt -57.64 149.33 21.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.9 m -134.27 93.81 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.348 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.575 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -25.87 113.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.487 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 108.89 -46.89 1.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 10.1 mttt -48.52 176.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.594 ' CD1' HG21 ' A' ' 21' ' ' VAL . 68.4 m-85 -134.95 148.37 50.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.653 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -149.93 157.67 43.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.578 ' CE1' HD11 ' A' ' 19' ' ' LEU . 66.9 m-85 -113.16 131.08 55.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.602 HG13 ' CD1' ' A' ' 60' ' ' TYR . 4.2 t -102.08 116.54 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.529 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 40.5 m-85 -97.19 85.79 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.65 171.31 13.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -80.43 -162.09 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -56.45 155.15 7.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.29 176.78 6.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.44 -39.01 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.96 -16.81 32.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.57 43.74 2.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -117.56 167.03 11.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.602 ' CD1' HG13 ' A' ' 50' ' ' VAL . 3.3 m-85 -110.49 128.62 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -73.53 58.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.52 156.54 7.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 49' ' ' TYR . 39.9 tt0 -131.84 84.23 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -36.73 152.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.74 -18.9 57.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.31 -2.83 56.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.63 1.15 66.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.474 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -62.17 118.41 7.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 0.773 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -106.79 113.2 26.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.464 ' CA ' ' HG ' ' A' ' 40' ' ' LEU . . . -159.68 171.76 36.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.511 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 87.4 mt -61.51 163.59 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.601 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 87.8 t -157.67 125.62 2.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.442 ' O ' HG12 ' A' ' 77' ' ' VAL . 18.3 Cg_endo -74.97 134.53 17.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.573 ' HB3' ' CE2' ' A' ' 60' ' ' TYR . 87.1 p -77.32 10.09 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.513 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -105.85 -11.35 16.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 25' ' ' SER . 85.1 m-85 -123.95 16.75 9.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.601 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 6.0 m -133.29 142.13 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -123.43 105.78 10.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -49.49 90.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.517 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 1.6 p -70.45 160.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 1.4 pt20 -61.68 -142.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.252 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 81' ' ' GLN . 6.9 t0 85.09 -45.78 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -141.18 89.27 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 85' ' ' SER . 0.2 OUTLIER -43.85 -64.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.329 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER 79.61 114.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.42 -30.75 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 mt -58.05 153.59 14.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -179.84 -171.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.4 t 58.46 108.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 t -167.76 142.07 3.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.6 t -40.79 126.42 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 137.74 124.77 2.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 176.8 9.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.2 t -170.09 135.22 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.74 89.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 p 178.45 -58.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.773 . . . . 0.0 109.959 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.91 97.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.31 143.39 5.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -129.27 -59.56 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 p 47.77 91.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.963 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.41 152.55 17.06 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -105.97 -16.26 14.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 0.799 . . . . 0.0 110.409 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 p 173.52 107.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -108.27 -57.9 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -135.07 142.65 46.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -89.22 37.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -177.14 34.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.35 23.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.12 179.59 51.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -50.56 159.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.64 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.6 t -104.99 159.74 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 17' ' ' VAL . 20.9 m-70 -149.94 104.03 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.54 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 3.5 tp -70.1 119.62 14.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.604 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 12.2 m -115.51 165.41 13.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.577 HG22 ' CD1' ' A' ' 47' ' ' TYR . 3.8 p -135.08 100.18 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.49 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -38.77 128.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -86.54 -37.33 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -140.53 129.91 23.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.79 129.97 5.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.972 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.514 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 9.9 t80 -123.85 151.88 42.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.43 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 1.1 m120 -148.42 96.81 3.85 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.0 -16.78 20.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 1.2 m-85 -95.07 28.16 2.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -108.05 -24.84 11.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.22 -179.35 32.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.06 -0.32 9.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -38.49 119.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.65 -3.07 42.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.493 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -138.68 60.49 19.8 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.639 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.98 -35.08 3.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.41 -21.95 65.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -60.42 -45.62 92.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -86.35 -178.2 6.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 68' ' ' GLN . 9.1 mt -127.68 135.24 27.17 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 89.52 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.514 ' HB2' ' HB3' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -58.77 167.87 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.612 ' O ' ' C ' ' A' ' 44' ' ' ALA . 18.8 m -150.75 95.82 2.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.612 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -22.19 114.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 103.63 -48.63 1.0 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' THR . 32.1 mttt -46.79 158.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.577 ' CD1' HG22 ' A' ' 21' ' ' VAL . 64.8 m-85 -117.84 156.4 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.639 ' N ' ' CD1' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -157.88 153.64 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 63' ' ' GLU . 60.3 m-85 -108.77 131.26 55.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.614 HG13 ' CD1' ' A' ' 60' ' ' TYR . 2.8 t -101.56 111.8 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.64 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 34.5 m-85 -93.84 93.98 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.95 -135.15 8.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -151.44 -173.74 4.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.59 121.42 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -162.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.76 -27.04 57.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -88.93 -16.94 30.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.26 43.61 3.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -120.25 171.62 8.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 0.758 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.614 ' CD1' HG13 ' A' ' 50' ' ' VAL . 3.0 m-85 -112.76 129.26 56.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.406 ' N ' HG12 ' A' ' 50' ' ' VAL . 48.4 mt-10 -75.14 60.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.26 157.52 12.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 49' ' ' TYR . 24.1 tt0 -131.63 82.73 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 63' ' ' GLU . 0.8 OUTLIER -35.37 146.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.4 mt -57.65 -18.43 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.13 -5.46 58.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.63 -3.06 60.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.475 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -59.58 121.49 11.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -110.8 125.25 53.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -174.96 -179.81 45.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.518 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 92.6 mt -67.49 164.37 19.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.617 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 70.8 t -158.16 124.82 2.54 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.492 ' HD2' ' CD2' ' A' ' 42' ' ' LEU . 18.3 Cg_endo -74.95 127.01 10.38 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.46 ' HA ' ' CG2' ' A' ' 77' ' ' VAL . 54.4 p -67.81 -8.33 35.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -87.65 -1.69 58.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.422 ' C ' HG13 ' A' ' 77' ' ' VAL . 4.7 m-85 -131.01 8.39 4.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.617 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 2.7 m -128.73 152.39 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -135.43 106.8 6.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.604 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.4 m-85 -47.45 92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.54 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 2.6 p -76.82 169.68 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.497 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 15.3 pt20 -111.37 122.02 46.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.46 -47.03 48.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.08 94.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.66 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.6 t -156.55 161.21 39.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -100.26 -53.09 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.7 mt -98.78 149.13 23.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.2 172.05 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.05 86.55 6.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.967 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -175.25 145.91 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.99 96.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.57 104.12 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.1 2.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m 50.88 78.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.045 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 t -120.49 -60.18 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 178.18 114.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 0.777 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.57 138.01 27.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 177.94 -175.4 47.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t 68.44 -69.27 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 0.74 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' GLY . 49.2 m 57.23 100.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' CA ' ' CG ' ' A' ' 53' ' ' ASP . . . 115.47 40.24 0.87 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.1 p -91.95 98.59 11.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.0 p -66.73 103.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.967 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.73 -53.2 2.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -128.77 -179.23 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.28 134.22 47.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.503 ' CZ ' ' NH2' ' A' ' 69' ' ' ARG . 14.5 m-85 53.22 53.95 11.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.41 26.84 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' LYS . . . -132.66 138.96 10.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -39.62 156.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.577 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 22.7 m -91.67 -170.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 70.4 m-70 -160.41 99.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.609 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.542 ' HG ' ' CG1' ' A' ' 80' ' ' VAL . 6.9 tp -58.22 114.44 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.608 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 57.4 m -118.81 162.9 17.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 108.265 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.541 HG22 ' CD1' ' A' ' 47' ' ' TYR . 4.0 p -127.68 113.11 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -35.72 118.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.604 ' NE ' ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -67.48 -51.09 55.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.604 ' CZ ' ' NE ' ' A' ' 23' ' ' ARG . 43.0 m-85 -139.8 127.39 21.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' TYR . 0.7 OUTLIER -38.91 120.69 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -135.87 147.69 48.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.35 118.43 8.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -30.99 6.5 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.79 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.61 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 4.0 m-85 -86.25 32.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -111.89 -24.34 10.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.04 -173.55 22.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.059 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.01 0.27 9.11 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -38.42 119.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.73 -5.6 57.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.508 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -137.73 59.88 22.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.61 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.98 -34.52 3.77 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.9 pt-20 -60.96 -28.25 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -59.0 -46.92 86.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -82.59 -176.04 6.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 68' ' ' GLN . 12.3 mt -129.42 141.19 40.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 90.95 1.05 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.465 ' CD2' HG11 ' A' ' 72' ' ' VAL . 10.5 mt -63.48 149.74 45.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.555 ' O ' ' C ' ' A' ' 44' ' ' ALA . 15.7 m -139.53 96.55 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.555 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -27.11 108.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 114.19 -45.57 1.29 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.501 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 7.1 mttt -46.47 171.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.541 ' CD1' HG22 ' A' ' 21' ' ' VAL . 72.7 m-85 -132.96 144.47 50.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.56 160.29 41.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 63' ' ' GLU . 71.7 m-85 -116.57 126.89 53.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.628 HG13 ' CD1' ' A' ' 60' ' ' TYR . 1.3 t -98.65 103.39 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -69.19 121.15 16.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 18' ' ' HIS . . . 81.54 -118.36 4.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.477 ' CG ' ' CA ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -151.72 -165.38 2.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 0.757 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.7 mtm -37.29 145.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -90.18 178.77 6.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -62.7 -25.68 68.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.84 -20.73 21.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.98 -18.01 24.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -69.69 166.64 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 0.723 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.628 ' CD1' HG13 ' A' ' 50' ' ' VAL . 2.0 m-85 -103.83 119.76 39.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -69.89 58.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 60' ' ' TYR . . . -58.41 152.93 28.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.9 tm-20 -121.69 115.36 22.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.51 ' HB2' ' CB ' ' A' ' 68' ' ' GLN . 5.6 mt -54.51 -172.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.1 mt -85.83 -40.48 15.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.1 -7.15 47.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.21 -0.74 37.86 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.51 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -56.95 121.41 9.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 0.804 . . . . 0.0 110.302 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.503 ' NH2' ' CZ ' ' A' ' 13' ' ' TYR . 51.9 mmm-85 -108.42 150.32 27.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 174.76 -175.63 46.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 38' ' ' ALA . 71.1 mt -83.98 154.95 23.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.49 ' CG1' HG13 ' A' ' 77' ' ' VAL . 30.6 t -151.46 132.4 7.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 133.78 17.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.576 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 40.0 t -70.48 -2.92 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -97.09 1.77 50.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.494 ' CE1' ' HB2' ' A' ' 75' ' ' ASN . 5.7 m-85 -137.53 39.41 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.49 HG13 ' CG1' ' A' ' 72' ' ' VAL . 10.8 m -154.64 151.35 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.486 ' CB ' HG13 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -135.7 107.61 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.608 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 57.5 m-85 -52.28 86.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.542 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 2.1 p -68.37 169.84 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.513 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 22.2 pt20 -113.49 128.4 56.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -52.75 16.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 51.72 99.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.96 -50.93 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.29 91.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.37 -53.94 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.01 175.93 6.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.83 170.74 15.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.74 125.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.039 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -173.95 144.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.4 t -39.44 157.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.97 117.2 3.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.441 1.088 . . . . 0.0 111.029 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.4 42.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.446 1.761 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.8 m 60.23 92.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.979 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.24 127.45 3.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.37 -58.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 0.0 109.974 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 p -132.92 160.58 36.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.88 -114.91 1.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -169.15 -57.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.07 172.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.91 -76.93 1.29 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.1 p -151.2 -174.2 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 110.452 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' GLN . 7.6 t 62.14 173.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.63 -61.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' SER . 52.3 mt-30 -134.09 139.7 46.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.56 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 17.9 mtt180 -79.94 161.55 25.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 15.4 p90 37.63 40.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.4 p -90.77 -54.15 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.38 165.37 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.51 162.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.699 ' CG2' ' CE2' ' A' ' 51' ' ' TYR . 3.5 t -106.76 147.23 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.434 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 96.8 m-70 -129.67 82.97 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.573 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.581 HD13 ' CE1' ' A' ' 49' ' ' TYR . 5.4 tp -52.66 122.75 9.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.632 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 57.1 m -122.26 159.64 26.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.326 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.544 HG21 ' CD1' ' A' ' 47' ' ' TYR . 4.9 p -126.88 109.9 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -39.86 134.36 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HB3' ' CD2' ' A' ' 24' ' ' TYR . 34.3 ttt180 -92.4 -29.75 16.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 23' ' ' ARG . 38.3 m-85 -146.32 130.27 17.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -45.58 137.24 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.513 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 10.4 t80 -134.04 153.64 51.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.432 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -150.12 95.69 3.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.16 13.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.622 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 2.0 m-85 -90.86 26.09 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.59 -14.0 14.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.39 -178.37 21.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.0 -2.57 12.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -39.47 118.27 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.89 -2.63 40.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.504 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -138.7 60.18 18.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.622 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.1 Cg_endo -75.0 -33.04 4.88 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 3.1 pt-20 -63.72 -27.25 69.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.407 ' HB3' ' ND2' ' A' ' 35' ' ' ASN . . . -60.11 -15.31 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -120.03 175.71 5.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.484 ' CD1' ' HG ' ' A' ' 64' ' ' LEU . 10.9 mt -123.39 136.85 27.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 88.12 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.52 HD11 ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -55.66 165.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.639 ' O ' ' C ' ' A' ' 44' ' ' ALA . 5.1 m -154.39 88.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.639 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -17.58 108.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.485 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 110.86 -43.52 1.7 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' CG ' ' HB ' ' A' ' 43' ' ' THR . 15.6 mttt -46.68 162.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.544 ' CD1' HG21 ' A' ' 21' ' ' VAL . 79.5 m-85 -125.6 147.03 49.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.5 163.17 38.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' HD13 ' A' ' 19' ' ' LEU . 64.4 m-85 -115.87 114.3 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.563 HG21 ' CD1' ' A' ' 60' ' ' TYR . 1.2 p -104.25 121.42 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.699 ' CE2' ' CG2' ' A' ' 17' ' ' VAL . 51.8 m-85 -94.06 145.48 24.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.02 -178.01 22.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -80.91 -154.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.53 150.5 47.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -75.45 173.16 11.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -48.25 -33.78 9.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -93.59 -22.53 18.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.38 -25.97 5.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 71' ' ' LEU . 8.3 m-85 -51.11 155.24 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.563 ' CD1' HG21 ' A' ' 50' ' ' VAL . 2.0 m-85 -105.99 126.83 52.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.42 62.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' TYR . . . -66.1 153.34 51.85 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.1 tm-20 -125.26 116.03 21.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.261 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.487 ' HB2' ' CB ' ' A' ' 68' ' ' GLN . 5.4 mt -54.92 -171.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.2 mt -94.32 -6.88 43.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 109.243 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -101.89 -6.17 23.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.7 4.85 42.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.487 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -64.38 120.37 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 0.733 . . . . 0.0 110.307 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -107.26 98.46 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.57 165.78 24.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 59' ' ' PHE . 37.4 mt -63.91 162.65 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.617 ' CG1' ' CG1' ' A' ' 77' ' ' VAL . 81.1 t -155.76 122.71 2.7 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.455 ' HD2' ' CD2' ' A' ' 42' ' ' LEU . 18.4 Cg_endo -75.0 129.77 12.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.494 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 32.4 t -69.2 -7.35 35.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -89.91 -1.76 58.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.407 ' C ' HG13 ' A' ' 77' ' ' VAL . 5.1 m-85 -131.67 11.65 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.617 ' CG1' ' CG1' ' A' ' 72' ' ' VAL . 2.9 m -127.69 153.35 36.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -135.23 107.36 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.632 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.9 m-85 -47.63 110.15 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.501 ' CG1' ' HG ' ' A' ' 19' ' ' LEU . 1.1 p -97.68 165.65 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.498 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.6 mm-40 -113.71 -131.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.278 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 71.02 -68.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -132.64 87.31 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.06 -59.66 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.9 t 179.08 117.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -24.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.348 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.6 mp -58.73 169.1 1.03 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.26 174.35 10.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.4 t -81.57 171.22 14.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.3 t -174.18 139.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.435 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 t -67.71 162.54 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.84 95.91 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 178.72 6.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 m -168.18 161.68 12.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.2 m 59.85 112.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.034 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 110.958 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.417 ' HB ' ' CD1' ' A' ' 51' ' ' TYR . 5.5 p -119.12 153.25 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.422 ' HB2' HG13 ' A' ' 50' ' ' VAL . 88.2 m-70 -120.75 140.39 51.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.634 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.648 ' CD2' HG13 ' A' ' 80' ' ' VAL . 1.3 tp -97.65 118.44 34.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.498 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 66.7 m -118.77 158.9 24.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.581 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.4 p -124.5 108.78 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -35.86 123.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.488 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.9 ttt180 -83.53 -27.74 29.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.065 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 31.5 m-85 -150.8 124.95 9.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.1 p -44.19 121.15 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 27' ' ' ASN . 22.6 t80 -126.93 152.02 47.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.405 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -146.8 113.87 4.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -30.5 7.06 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.449 1.762 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.62 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.6 m-85 -87.21 30.95 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.97 -15.75 12.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.69 -175.35 19.07 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.03 -0.71 10.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -39.71 118.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.9 -5.48 53.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.562 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 6.3 t-20 -136.93 60.58 30.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.62 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.5 Cg_endo -74.98 -34.03 4.16 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.517 1.799 . . . . 0.0 111.047 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.0 pt-20 -61.99 -28.59 69.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.562 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -57.47 -48.53 78.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.448 ' O ' HD23 ' A' ' 40' ' ' LEU . 40.7 mt-10 -81.24 -172.53 3.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 62' ' ' GLY . 12.9 mt -134.59 141.48 39.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -75.0 94.11 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.774 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.852 HD11 ' HD2' ' A' ' 73' ' ' PRO . 12.6 mt -69.81 146.63 51.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.493 ' O ' ' C ' ' A' ' 44' ' ' ALA . 44.0 m -131.55 104.29 6.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -33.78 117.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.53 -43.73 1.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.4 mtmt -58.9 163.91 3.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.563 ' HD1' HG11 ' A' ' 80' ' ' VAL . 25.1 m-85 -123.1 164.4 18.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.746 HD11 HG11 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -153.82 162.69 41.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' GLU . 49.4 m-85 -115.28 107.82 15.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.639 HG21 ' CD1' ' A' ' 60' ' ' TYR . 1.5 p -98.03 113.88 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.417 ' CD1' ' HB ' ' A' ' 17' ' ' VAL . 92.9 m-85 -80.03 142.1 35.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.18 -130.9 11.71 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.85 -167.24 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.798 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.48 142.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -91.66 174.05 7.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.072 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.74 -26.71 67.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.18 -31.63 19.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 112.55 36.92 1.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -126.63 166.49 17.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.987 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.639 ' CD1' HG21 ' A' ' 50' ' ' VAL . 3.7 m-85 -110.32 128.32 55.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -75.27 56.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.579 ' O ' HD12 ' A' ' 40' ' ' LEU . . . -60.67 141.86 48.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' TYR . 33.8 tt0 -113.24 97.29 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.736 . . . . 0.0 110.258 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.552 HD13 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -41.47 153.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.27 -17.26 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -84.29 -11.82 55.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.73 -3.11 36.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.522 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -60.82 123.22 16.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.778 . . . . 0.0 110.283 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -112.39 121.94 46.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -168.67 -177.84 39.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 72' ' ' VAL . 82.6 mt -70.74 163.27 27.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.901 ' CG1' HG11 ' A' ' 77' ' ' VAL . 70.6 t -158.06 125.06 2.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.852 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -75.02 130.48 13.29 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.827 ' HA ' HG22 ' A' ' 77' ' ' VAL . 32.5 t -70.52 -6.59 37.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 1.2 t30 -90.43 -2.98 57.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -127.97 8.65 6.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.901 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.3 m -129.25 144.62 37.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -123.99 107.41 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.498 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 33.8 m-85 -50.18 88.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.648 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.6 p . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.646 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 2.1 t -82.35 129.87 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.524 ' HB2' HG13 ' A' ' 50' ' ' VAL . 23.5 m-70 -119.25 108.64 14.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.626 ' HG ' HG13 ' A' ' 80' ' ' VAL . 6.0 tp -68.14 119.26 12.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.619 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 83.0 m -123.08 154.85 38.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.289 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.515 HG23 ' CD1' ' A' ' 47' ' ' TYR . 3.1 p -120.55 114.77 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -43.5 130.41 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.488 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 4.4 ttt180 -88.64 -27.76 21.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 30.2 m-85 -151.0 128.49 11.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.55 118.82 2.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.035 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -128.15 146.11 50.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.07 116.26 8.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.41 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -74.99 -30.74 6.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 46.2 m-85 -84.67 29.2 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 30' ' ' ASP . 4.6 t0 -110.7 -28.01 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.25 -178.84 28.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.98 0.39 8.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.439 1.757 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -37.27 121.91 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.07 -5.0 55.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.507 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 2.0 t-20 -138.63 59.69 17.48 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.604 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -75.0 -34.64 3.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.451 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 1.7 pt-20 -61.3 -30.64 70.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.507 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -57.17 -47.76 80.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.06 -174.45 4.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.692 HD13 HD13 ' A' ' 64' ' ' LEU . 12.8 mt -133.82 142.69 44.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.87 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.997 HD11 ' HD2' ' A' ' 73' ' ' PRO . 9.9 mt -68.2 152.52 45.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 44' ' ' ALA . 27.7 m -140.93 103.69 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.72 116.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.52 -46.64 1.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -53.73 166.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.515 ' CD1' HG23 ' A' ' 21' ' ' VAL . 33.1 m-85 -128.54 163.99 23.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.723 HD11 HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -157.82 161.85 38.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' HB3' HG13 ' A' ' 17' ' ' VAL . 48.9 m-85 -112.35 108.97 18.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.4 p -100.04 117.65 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.646 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 24.1 m-85 -83.24 143.01 30.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 18' ' ' HIS . . . 67.56 -153.89 52.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -119.0 -174.32 2.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.0 mtm -44.54 146.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.21 -164.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.54 -26.62 55.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -86.79 -27.41 23.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.67 45.7 1.38 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.488 ' CB ' HD22 ' A' ' 71' ' ' LEU . 7.0 m-85 -132.14 161.92 32.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 110.97 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.614 ' HB3' HG21 ' A' ' 50' ' ' VAL . 5.0 m-85 -106.55 132.23 52.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -78.9 52.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.551 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -53.76 145.64 23.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' TYR . 44.0 tt0 -117.56 94.69 4.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.692 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -39.74 146.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.0 mt -55.43 -22.54 20.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -77.11 -28.88 54.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.88 -5.4 8.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.426 1.079 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.484 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.2 tt0 -57.53 121.8 11.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -111.04 111.19 22.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -155.42 -173.91 24.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 72' ' ' VAL . 93.8 mt -75.74 163.23 27.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.758 ' CG1' HG11 ' A' ' 77' ' ' VAL . 73.0 t -157.23 122.98 2.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.997 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -74.97 127.41 10.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.78 ' HA ' HG22 ' A' ' 77' ' ' VAL . 31.1 t -66.68 -10.57 47.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -86.79 -0.09 55.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CB ' HD12 ' A' ' 42' ' ' LEU . 6.9 m-85 -131.29 16.98 4.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.78 HG22 ' HA ' ' A' ' 74' ' ' SER . 4.9 m -140.18 150.8 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -129.07 107.55 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.619 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.9 m-85 -47.89 91.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.626 HG13 ' HG ' ' A' ' 19' ' ' LEU . 1.1 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 49' ' ' TYR . 4.2 p -121.07 163.65 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.438 ' HB2' HG13 ' A' ' 50' ' ' VAL . 81.9 m-70 -136.79 136.1 38.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.607 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.789 ' CD2' HG13 ' A' ' 80' ' ' VAL . 2.1 tp -92.17 118.56 30.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.587 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 35.3 m -118.75 149.22 41.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.7 p -114.14 110.0 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -38.46 127.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 15.1 ttt180 -86.15 -30.54 22.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.469 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 27.2 m-85 -148.89 133.62 17.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.75 119.96 5.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.045 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 57.8 t80 -128.59 141.96 51.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.74 115.12 12.25 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.65 8.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.615 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.1 m-85 -87.63 31.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.94 -18.14 12.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.14 -176.29 20.9 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 -0.86 10.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -39.38 120.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.71 -4.43 54.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.269 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.497 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 4.3 t-20 -137.98 60.44 23.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.615 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -74.99 -33.11 4.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.782 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.9 pt-20 -62.37 -28.9 70.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -57.31 -47.09 82.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' O ' HD23 ' A' ' 40' ' ' LEU . 46.3 mt-10 -82.86 -172.98 4.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.78 HD13 HD13 ' A' ' 64' ' ' LEU . 13.4 mt -134.57 142.94 44.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 18.2 Cg_endo -75.06 92.29 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.025 HD11 ' HD2' ' A' ' 73' ' ' PRO . 8.8 mt -64.99 148.56 51.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 23.7 m -136.57 103.78 5.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.75 118.06 0.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.506 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 104.08 -43.82 1.6 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 43' ' ' THR . 15.3 mmtt -57.72 161.75 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.613 ' HD2' HG11 ' A' ' 80' ' ' VAL . 21.6 m-85 -119.67 171.52 8.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.941 HD11 HG11 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -164.83 156.97 15.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 63' ' ' GLU . 41.3 m-85 -110.06 109.66 20.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.598 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.4 p -97.26 109.37 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -76.48 144.94 39.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.82 -137.93 37.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -129.86 -175.25 3.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.407 ' CE ' ' CZ ' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -44.21 159.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -95.9 173.23 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.71 -12.79 50.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -92.34 -30.95 15.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.28 37.27 1.66 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.424 ' HB2' HD22 ' A' ' 71' ' ' LEU . 23.2 m-85 -132.7 164.57 26.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 0.793 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.598 ' HB3' HG21 ' A' ' 50' ' ' VAL . 2.7 m-85 -104.96 127.4 52.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -69.99 60.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.682 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -63.99 143.14 47.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TYR . 34.8 tt0 -115.94 96.85 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.78 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -41.79 148.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.4 mt -58.09 -17.81 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.45 -15.58 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.21 -3.73 31.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.534 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.4 tt0 -60.24 121.2 11.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -107.9 113.43 26.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -158.59 179.98 33.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.458 ' C ' HG23 ' A' ' 72' ' ' VAL . 69.5 mt -70.07 160.04 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.941 HG11 HD11 ' A' ' 48' ' ' LEU . 61.7 t -154.08 119.99 2.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 1.025 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -75.0 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.831 ' HA ' HG22 ' A' ' 77' ' ' VAL . 59.1 p -54.36 -20.73 7.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -72.64 -5.17 35.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.581 ' CB ' HD12 ' A' ' 42' ' ' LEU . 5.1 m-85 -129.28 19.11 5.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.831 HG22 ' HA ' ' A' ' 74' ' ' SER . 1.4 m -137.27 153.81 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -134.67 106.54 7.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.587 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.1 m-85 -47.02 92.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.789 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.1 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 49' ' ' TYR . 4.6 p -122.96 147.59 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.436 ' HB2' HG13 ' A' ' 50' ' ' VAL . 67.4 m-70 -115.33 137.21 52.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.568 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 tp -95.24 109.24 21.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.563 ' SG ' ' CE1' ' A' ' 79' ' ' PHE . 33.8 m -109.27 161.46 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.329 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.678 HG23 ' CD1' ' A' ' 47' ' ' TYR . 5.3 p -126.01 108.3 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -36.12 123.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 20.5 ttt180 -83.82 -31.05 26.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.439 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 26.9 m-85 -146.63 128.52 15.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.3 p -49.22 119.46 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -130.04 142.69 50.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.42 116.75 11.1 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.42 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.4 Cg_endo -74.96 -31.36 6.34 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 45.5 m-85 -84.65 29.51 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -111.82 -27.12 8.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.62 -178.99 28.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.98 -0.13 9.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.8 m-20 -37.47 121.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.15 -6.18 55.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.564 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 6.5 t-20 -137.52 60.3 25.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.592 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.95 -35.36 3.23 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 1.5 pt-20 -60.49 -31.1 70.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.564 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -56.02 -48.33 76.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -80.5 -175.22 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.599 HD13 HD13 ' A' ' 64' ' ' LEU . 13.1 mt -132.72 142.85 46.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 95.44 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.862 HD11 ' HD2' ' A' ' 73' ' ' PRO . 11.8 mt -71.47 145.46 49.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 44' ' ' ALA . 20.4 m -130.27 103.51 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.422 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.02 117.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.17 -43.51 1.65 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' THR . 36.7 mmtt -58.55 162.55 3.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.678 ' CD1' HG23 ' A' ' 21' ' ' VAL . 6.3 m-85 -122.59 156.22 34.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.797 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -145.16 163.95 32.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' GLU . 42.4 m-85 -116.08 107.69 15.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.607 HG21 ' CD1' ' A' ' 60' ' ' TYR . 1.5 p -97.18 112.33 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -78.85 140.03 38.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.75 178.5 7.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -81.44 -173.03 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.805 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -40.86 156.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.24 -175.17 5.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -61.6 -34.31 75.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.02 -28.17 20.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.3 -8.19 7.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -73.68 163.68 27.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.607 ' CD1' HG21 ' A' ' 50' ' ' VAL . 5.2 m-85 -108.81 131.1 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -76.15 52.85 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.695 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -55.56 142.31 37.28 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' TYR . 41.5 tt0 -115.43 99.03 7.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.77 . . . . 0.0 110.277 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.599 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -40.16 153.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.8 -14.81 55.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -86.71 -19.77 28.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.84 -8.78 14.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.527 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -55.63 123.4 13.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -112.29 123.53 50.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -168.41 -174.8 37.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 72' ' ' VAL . 84.5 mt -73.89 162.43 29.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.839 ' CG1' HG11 ' A' ' 77' ' ' VAL . 69.7 t -157.31 124.47 2.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.862 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -74.99 130.82 13.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.443 1.76 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.764 ' HA ' HG22 ' A' ' 77' ' ' VAL . 60.6 p -69.51 -7.37 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.37 0.84 57.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -132.3 13.74 4.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.839 HG11 ' CG1' ' A' ' 72' ' ' VAL . 4.4 m -135.27 138.12 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.513 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -116.62 107.36 14.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.563 ' CE1' ' SG ' ' A' ' 20' ' ' CYS . 2.3 m-85 -50.61 110.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.543 HG22 ' HB ' ' A' ' 21' ' ' VAL . 2.2 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.459 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 1.7 t -101.54 155.86 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 17' ' ' VAL . 18.0 m-70 -151.52 113.09 4.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.6 ' CD2' HG13 ' A' ' 80' ' ' VAL . 6.1 tp -79.09 117.66 20.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.608 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 51.7 m -121.03 148.43 44.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 45' ' ' GLY . 4.5 p -118.18 118.87 59.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.37 129.96 13.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.427 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 41.0 ttt180 -88.94 -28.72 20.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.427 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 26.9 m-85 -148.96 129.56 14.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.76 121.71 6.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -133.55 144.71 49.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.99 118.44 11.12 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -30.57 6.99 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.445 1.761 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 4.0 m-85 -87.71 34.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -113.08 -26.99 8.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.68 -179.18 30.82 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.99 0.67 8.62 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.7 m-20 -36.6 151.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.44 -6.86 16.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.565 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 6.1 t-20 -136.91 59.93 26.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.619 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -75.0 -33.48 4.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.1 pt-20 -62.09 -28.55 69.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.565 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -58.51 -46.64 86.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.434 ' O ' HD23 ' A' ' 40' ' ' LEU . 46.8 mt-10 -82.93 -172.19 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.63 HD13 HD13 ' A' ' 64' ' ' LEU . 13.6 mt -135.08 143.4 45.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.53 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.959 HD11 ' HD2' ' A' ' 73' ' ' PRO . 8.4 mt -65.21 149.43 49.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.504 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.6 m -140.3 103.46 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.504 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -32.46 114.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.353 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 107.07 -44.08 1.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' THR . 8.9 mttt -56.33 148.25 19.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.554 ' HD1' HG11 ' A' ' 80' ' ' VAL . 50.2 m-85 -105.8 170.78 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.656 HD11 HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -165.08 158.13 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 63' ' ' GLU . 59.1 m-85 -115.19 122.13 45.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.614 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.5 t -96.5 113.28 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.425 ' CE1' HG22 ' A' ' 17' ' ' VAL . 36.7 m-85 -87.0 87.51 7.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.3 -176.83 16.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.493 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 8.7 t0 -83.91 -170.25 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.797 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.493 ' HE2' ' HB3' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -60.92 157.73 14.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.78 173.11 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -56.11 -27.86 55.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.86 -19.09 25.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.8 25.91 7.82 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -102.67 160.03 14.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.614 ' CD1' HG11 ' A' ' 50' ' ' VAL . 4.0 m-85 -109.96 132.2 54.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.414 ' N ' HG13 ' A' ' 50' ' ' VAL . 61.2 mt-10 -79.4 61.0 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.84 144.27 48.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 49' ' ' TYR . 21.4 tt0 -115.19 89.55 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.757 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.63 HD13 HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -39.97 145.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.615 ' H ' HD12 ' A' ' 65' ' ' LEU . 5.5 mp -57.3 -17.88 14.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -82.92 -6.57 59.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.42 6.29 57.59 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.482 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -70.81 121.95 18.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -111.57 115.22 28.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -161.04 -178.76 35.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.439 ' C ' HG23 ' A' ' 72' ' ' VAL . 83.7 mt -73.4 158.98 33.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.876 ' CG1' HG11 ' A' ' 77' ' ' VAL . 97.4 t -154.42 125.21 3.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.959 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.5 Cg_endo -74.98 132.02 14.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.823 ' HA ' HG22 ' A' ' 77' ' ' VAL . 78.2 p -71.5 -4.37 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -91.77 -1.69 57.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.492 ' CB ' HD12 ' A' ' 42' ' ' LEU . 7.6 m-85 -130.37 9.16 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.876 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.6 m -129.21 156.65 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.478 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -136.31 108.71 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.359 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.608 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.6 m-85 -50.97 88.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.6 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.5 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.534 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.9 t -105.67 161.47 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 8.8 m-70 -147.41 113.32 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.58 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.592 ' CD2' HG13 ' A' ' 80' ' ' VAL . 6.2 tp -76.86 119.3 20.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.581 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 62.5 m -122.76 148.91 44.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.347 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 78' ' ' ASP . 3.8 p -118.08 120.36 64.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.494 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -51.34 137.12 23.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.522 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 25.6 ttt180 -93.34 -31.84 14.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.522 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 30.6 m-85 -148.25 130.57 15.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.42 123.72 4.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.482 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 10.7 t80 -117.82 153.06 34.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.439 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -147.43 97.65 4.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -19.02 18.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.55 1.816 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 1.8 m-85 -97.39 30.47 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -108.56 -30.03 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.07 -177.57 33.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.03 0.83 8.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.807 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.8 m-20 -37.06 117.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -77.12 -2.4 34.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.48 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -137.19 60.74 29.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.632 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.99 -41.46 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -60.88 -24.17 65.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -58.71 -48.86 79.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.466 ' O ' HD23 ' A' ' 40' ' ' LEU . 33.8 mt-10 -83.99 -174.81 5.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.678 HD13 HD13 ' A' ' 64' ' ' LEU . 10.8 mt -131.78 136.17 27.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 91.82 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.852 HD21 HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -60.67 177.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.65 ' O ' ' C ' ' A' ' 44' ' ' ALA . 6.1 m -160.79 89.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.65 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -17.81 115.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.453 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 103.29 -42.02 1.99 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 6.6 mttm -51.96 159.34 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.764 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.553 ' HD1' HG11 ' A' ' 80' ' ' VAL . 54.6 m-85 -123.59 148.67 46.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.763 HD11 HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -144.42 165.78 26.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' GLU . 60.6 m-85 -118.82 122.18 41.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.612 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.1 t -98.38 113.57 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 25.5 m-85 -89.49 98.49 11.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.22 -169.47 13.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -95.55 -172.5 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.434 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -50.09 158.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.4 172.3 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.43 -27.17 62.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -89.55 -17.85 27.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.74 27.87 8.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -110.32 168.2 9.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.612 ' CD1' HG11 ' A' ' 50' ' ' VAL . 3.2 m-85 -111.14 125.73 54.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -76.02 62.9 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.61 150.07 42.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 49' ' ' TYR . 29.8 tt0 -118.02 92.36 3.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.678 HD13 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -39.77 148.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.7 mt -55.88 -24.1 35.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -77.25 -22.82 51.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.51 1.81 21.46 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.576 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.5 tt0 -63.36 124.23 20.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -109.85 111.29 22.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -154.82 176.87 32.4 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 72' ' ' VAL . 74.6 mt -70.3 162.22 28.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.79 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.888 ' CG1' HG11 ' A' ' 77' ' ' VAL . 76.0 t -157.39 126.93 3.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.629 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.4 Cg_endo -74.96 131.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.461 1.769 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.827 ' HA ' HG22 ' A' ' 77' ' ' VAL . 59.5 p -71.78 -4.16 26.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 4.7 t30 -91.77 -9.77 42.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -119.88 5.75 10.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.888 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.0 m -125.98 157.43 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.507 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -138.47 106.99 5.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.581 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.9 m-85 -48.88 91.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.592 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.7 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.468 HG21 ' HB3' ' A' ' 49' ' ' TYR . 5.6 p -114.91 153.91 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.455 ' O ' HG12 ' A' ' 50' ' ' VAL . 77.4 m-70 -126.05 131.06 52.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.63 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.696 ' CD2' HG13 ' A' ' 80' ' ' VAL . 1.1 tp -88.79 119.27 29.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.557 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 35.4 m -118.96 156.77 28.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 108.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.579 HG23 ' CD1' ' A' ' 47' ' ' TYR . 3.9 p -116.2 112.77 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -34.99 117.93 0.41 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -74.12 -50.72 18.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.56 ' CE1' ' HD2' ' A' ' 23' ' ' ARG . 56.2 m-85 -137.05 127.56 26.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 p -41.13 116.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.97 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -128.29 145.31 51.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.55 116.62 5.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.432 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.0 -29.15 8.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 42.2 m-85 -85.14 30.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.47 -25.22 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.58 177.35 23.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.481 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.02 1.56 7.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.481 ' C ' ' O ' ' A' ' 32' ' ' PRO . 3.0 m-20 -33.92 148.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' C ' ' HD3' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -100.0 -10.38 21.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.559 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 6.4 t-20 -136.43 59.48 26.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.605 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -74.98 -33.59 4.49 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 3.4 pt-20 -61.94 -29.95 70.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.559 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -55.27 -48.32 74.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' O ' HD23 ' A' ' 40' ' ' LEU . 75.6 mt-10 -82.16 -177.25 6.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.661 HD11 ' O ' ' A' ' 68' ' ' GLN . 11.7 mt -130.27 141.75 43.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 92.87 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.675 HD11 ' HD2' ' A' ' 73' ' ' PRO . 14.8 mt -70.49 147.74 49.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.518 ' O ' ' C ' ' A' ' 44' ' ' ALA . 18.8 m -131.4 102.54 6.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.518 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -31.37 115.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.411 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.29 -42.97 1.78 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.06 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' THR . 32.1 mmtt -60.33 160.7 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.61 ' HD1' HG11 ' A' ' 80' ' ' VAL . 30.0 m-85 -117.07 173.11 6.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.626 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -165.92 155.13 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.468 ' HB3' HG21 ' A' ' 17' ' ' VAL . 34.8 m-85 -107.27 108.86 20.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.3 p -96.25 106.06 17.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.405 ' N ' HG23 ' A' ' 17' ' ' VAL . 81.4 m-85 -72.12 140.6 48.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.29 -146.53 47.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -121.64 -177.15 3.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.408 ' HG2' ' N ' ' A' ' 59' ' ' PHE . 6.1 ttm -48.96 157.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.71 172.9 8.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.37 -13.94 23.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.73 -31.56 17.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.26 41.42 1.65 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.408 ' N ' ' HG2' ' A' ' 54' ' ' MET . 17.6 m-85 -135.08 164.41 27.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 110.982 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.565 ' HB3' HG21 ' A' ' 50' ' ' VAL . 8.1 m-85 -104.94 137.91 41.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -81.66 47.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.522 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -47.65 143.79 6.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' TYR . 24.6 tt0 -118.38 93.21 4.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.59 HD13 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -38.83 145.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.9 mt -54.69 -22.07 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -77.24 -24.4 51.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.96 -0.03 17.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.661 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.6 tt0 -65.06 122.44 17.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -109.78 117.55 34.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.441 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -160.54 179.86 35.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.598 ' O ' HG23 ' A' ' 72' ' ' VAL . 69.5 mt -69.71 162.89 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.665 HG13 HD11 ' A' ' 42' ' ' LEU . 53.4 t -158.76 122.64 2.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.675 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.2 Cg_endo -74.95 129.9 12.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.598 ' HA ' HG22 ' A' ' 77' ' ' VAL . 80.2 p -66.62 -11.01 51.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.412 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 1.6 m-20 -87.12 -0.34 56.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.462 ' C ' HG13 ' A' ' 77' ' ' VAL . 5.1 m-85 -131.93 30.14 4.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.607 HG11 ' CG1' ' A' ' 72' ' ' VAL . 17.2 m -154.86 155.23 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -134.27 107.34 7.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.248 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.557 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.7 m-85 -46.67 91.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.696 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.3 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttt . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 18' ' ' HIS . 1.4 t -104.85 161.2 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.451 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 23.8 m-70 -150.66 100.15 2.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.723 ' CD2' HG13 ' A' ' 80' ' ' VAL . 4.1 tp -71.84 119.24 15.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.561 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 75.2 m -124.23 156.5 36.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 45' ' ' GLY . 4.0 p -124.4 118.6 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -48.32 131.48 16.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 6.4 ttt180 -87.95 -28.46 21.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 31.5 m-85 -150.82 131.23 13.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.65 118.91 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -129.15 142.03 51.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.22 117.1 11.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.416 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.03 -29.58 8.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.587 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 49.4 m-85 -85.74 29.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 9.0 t0 -111.94 -27.67 8.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.44 176.72 31.6 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 0.77 8.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.6 m-20 -36.14 151.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.41 -7.8 18.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.534 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 5.8 t-20 -136.86 60.2 28.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.587 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.97 -33.67 4.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.773 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -61.66 -31.05 71.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.534 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -56.64 -48.0 78.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -80.36 -173.46 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 62' ' ' GLY . 12.6 mt -135.06 143.28 45.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 93.6 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.972 HD11 ' HD2' ' A' ' 73' ' ' PRO . 10.0 mt -66.52 152.84 44.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.487 ' O ' ' C ' ' A' ' 44' ' ' ALA . 53.1 m -140.49 103.02 4.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.27 114.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 107.6 -44.87 1.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' CG ' ' HB ' ' A' ' 43' ' ' THR . 23.3 mttt -51.95 159.8 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.784 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.609 ' HD2' HG11 ' A' ' 80' ' ' VAL . 40.1 m-85 -124.62 146.78 48.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.606 HD11 HG11 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -135.72 -171.88 2.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -142.23 116.92 9.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.6 HG11 ' CD1' ' A' ' 60' ' ' TYR . 3.7 t -90.1 127.0 42.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -100.85 86.16 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 18' ' ' HIS . . . 126.71 -152.33 18.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -116.03 -155.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.402 ' O ' ' HG2' ' A' ' 54' ' ' MET . 15.5 ttp -108.27 108.51 19.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.6 19.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 1.8 pt-20 -111.44 40.72 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 3.4 t70 87.49 4.18 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.77 32.3 3.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -118.63 163.7 16.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 111.061 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.6 ' CD1' HG11 ' A' ' 50' ' ' VAL . 5.5 m-85 -121.57 124.97 45.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 50' ' ' VAL . 54.4 mt-10 -67.97 63.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.625 ' O ' HD12 ' A' ' 40' ' ' LEU . . . -71.46 137.27 25.85 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.478 ' OE1' ' CG ' ' A' ' 69' ' ' ARG . 12.2 tt0 -109.23 95.9 5.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.573 HD13 HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -40.02 153.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.4 HD21 ' O ' ' A' ' 47' ' ' TYR . 25.6 mt -62.17 -14.86 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.42 -11.98 50.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.02 -2.79 40.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.588 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.4 tt0 -60.07 120.94 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.478 ' CG ' ' OE1' ' A' ' 63' ' ' GLU . 6.4 mtt180 -108.82 119.12 38.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.239 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -165.9 -175.18 36.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.513 HD22 ' CD ' ' A' ' 56' ' ' GLU . 84.1 mt -77.77 161.68 27.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.81 ' CG1' HG11 ' A' ' 77' ' ' VAL . 96.5 t -153.75 126.93 4.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.972 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -74.97 129.68 12.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.834 ' HA ' HG22 ' A' ' 77' ' ' VAL . 41.7 t -70.38 -5.44 28.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -91.21 -0.38 57.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.421 ' CB ' HD12 ' A' ' 42' ' ' LEU . 6.6 m-85 -131.34 9.35 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.834 HG22 ' HA ' ' A' ' 74' ' ' SER . 3.4 m -128.47 156.07 40.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -137.27 106.79 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 48.0 m-85 -49.52 89.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.723 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.5 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.458 HG22 ' CE1' ' A' ' 51' ' ' TYR . 2.0 t -102.0 159.13 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 33.8 m-70 -147.41 98.8 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.501 HD11 ' HB3' ' A' ' 47' ' ' TYR . 29.9 tp -72.0 107.7 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 59.9 m -114.06 151.12 32.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.334 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.586 ' HB ' HG22 ' A' ' 80' ' ' VAL . 3.3 p -119.69 112.56 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -40.92 129.38 2.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 14.1 ttt180 -87.95 -29.95 20.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 32.4 m-85 -149.41 130.05 14.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.81 114.9 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -125.04 142.43 51.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.46 117.16 12.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -29.93 7.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.624 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.3 m-85 -87.12 32.42 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -111.6 -22.64 11.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.36 -175.08 22.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.94 0.05 9.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -38.8 118.79 0.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -78.96 -5.9 54.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.509 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 4.2 t-20 -137.3 60.33 26.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.624 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.99 -32.94 4.97 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.517 1.798 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.7 pt-20 -62.29 -27.91 69.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -57.34 -49.12 77.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' O ' HD23 ' A' ' 40' ' ' LEU . 45.6 mt-10 -81.4 -172.48 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.585 HD13 HD13 ' A' ' 64' ' ' LEU . 12.5 mt -134.02 142.13 42.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.58 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.028 HD11 ' HD2' ' A' ' 73' ' ' PRO . 10.3 mt -65.11 154.55 37.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.473 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.4 m -142.37 103.63 4.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.092 . . . . 0.0 110.439 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -35.17 115.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.473 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 107.45 -45.52 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 51.8 mmtt -54.47 160.85 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.556 ' CD1' HG23 ' A' ' 21' ' ' VAL . 29.3 m-85 -119.32 156.23 30.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.834 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -148.06 159.93 43.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' GLU . 51.7 m-85 -117.99 117.77 30.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.587 HG11 ' CD1' ' A' ' 60' ' ' TYR . 3.1 t -95.31 117.38 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.458 ' CE1' HG22 ' A' ' 17' ' ' VAL . 37.9 m-85 -90.94 91.2 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.44 ' O ' ' CD2' ' A' ' 18' ' ' HIS . . . 116.62 -164.57 12.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 111.049 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -100.9 -174.29 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.442 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -48.44 156.18 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -90.97 172.97 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -56.37 -30.03 62.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.77 -20.03 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.81 33.93 4.23 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -114.05 162.97 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 0.801 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.587 ' CD1' HG11 ' A' ' 50' ' ' VAL . 5.3 m-85 -109.61 130.37 55.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.421 ' N ' HG13 ' A' ' 50' ' ' VAL . 87.3 mt-10 -78.43 56.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.35 144.25 45.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.4 OUTLIER -112.75 92.78 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.759 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.585 HD13 HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -39.94 146.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 41.7 mt -55.89 -19.25 11.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -18.76 41.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.84 -3.2 25.87 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.46 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.6 tt0 -60.19 125.74 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -116.09 111.58 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.443 ' CA ' ' HG ' ' A' ' 40' ' ' LEU . . . -156.55 179.4 32.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.135 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' ALA . 55.9 mt -71.9 146.0 48.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 48' ' ' LEU . 75.7 t -139.08 126.17 12.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 1.028 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.2 Cg_endo -74.96 128.21 11.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.725 ' HA ' HG22 ' A' ' 77' ' ' VAL . 75.4 p -68.69 -7.42 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -90.69 0.87 57.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.585 ' CB ' HD12 ' A' ' 42' ' ' LEU . 6.3 m-85 -131.97 15.23 4.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.802 HG11 ' CG1' ' A' ' 72' ' ' VAL . 4.2 m -138.11 152.66 26.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.427 ' HB3' HG12 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -129.09 107.3 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.592 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.2 m-85 -49.1 104.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.586 HG22 ' HB ' ' A' ' 21' ' ' VAL . 3.9 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.681 ' CG1' ' CE2' ' A' ' 51' ' ' TYR . 27.6 m -84.89 163.82 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.536 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 79.3 m-70 -133.03 80.34 1.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' HIS . 9.4 tp -38.59 123.4 1.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.618 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 91.3 m -125.34 179.7 4.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.638 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.5 p -142.35 104.76 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -38.26 127.06 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.521 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 40.9 ttt180 -85.27 -27.09 26.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.521 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 27.7 m-85 -152.44 129.92 11.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.83 116.46 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.434 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 25.6 t80 -126.44 141.26 51.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.06 117.1 11.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.14 9.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.633 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 2.8 m-85 -87.35 32.02 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.66 -21.04 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.04 -176.09 22.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.01 -0.5 10.05 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.504 1.791 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -38.85 119.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -79.31 -4.9 53.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.503 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 5.7 t-20 -137.57 60.25 24.7 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.633 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.97 -32.05 5.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.7 pt-20 -63.67 -26.4 68.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -57.74 -48.14 80.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 40' ' ' LEU . 40.4 mt-10 -84.41 -176.78 6.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.732 HD13 HD13 ' A' ' 64' ' ' LEU . 9.2 mt -129.38 141.98 43.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 18.4 Cg_endo -74.97 92.81 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.832 HD11 ' HD2' ' A' ' 73' ' ' PRO . 12.6 mt -67.48 146.07 54.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 44' ' ' ALA . 20.6 m -132.52 105.39 7.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -32.27 117.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.538 ' O ' HG23 ' A' ' 21' ' ' VAL . . . 102.93 -46.8 1.17 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.421 1.076 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' THR . 51.7 mmtt -55.66 155.36 5.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.439 ' CD1' HG23 ' A' ' 21' ' ' VAL . 11.3 m-85 -115.13 172.52 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.661 HD11 HG11 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -162.73 160.03 24.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 63' ' ' GLU . 39.6 m-85 -110.71 111.36 22.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.63 HG21 ' CG ' ' A' ' 60' ' ' TYR . 1.2 p -103.66 112.65 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.681 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 91.4 m-85 -78.21 134.55 37.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.13 172.48 10.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.36 -162.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.2 ptp -58.85 152.15 19.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.55 -161.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.365 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.2 -27.98 47.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.54 -23.51 24.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.3 11.52 29.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -96.84 160.27 14.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.63 ' CG ' HG21 ' A' ' 50' ' ' VAL . 4.1 m-85 -108.13 136.74 47.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -80.89 51.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.257 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.9 148.29 23.8 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.6 tt0 -122.52 95.42 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.732 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -38.13 147.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.5 mt -57.22 -21.26 32.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.16 -20.07 61.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.56 5.96 27.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.508 ' NE2' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -62.99 170.04 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -150.86 109.49 3.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -158.83 179.41 34.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 72' ' ' VAL . 88.3 mt -71.66 163.18 28.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.862 ' CG1' HG11 ' A' ' 77' ' ' VAL . 75.1 t -157.62 124.43 2.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.832 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -74.96 133.38 16.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.813 ' HA ' HG22 ' A' ' 77' ' ' VAL . 28.9 t -71.67 -4.12 25.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 4.6 t30 -92.11 -8.02 46.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.47 ' HB3' HD12 ' A' ' 42' ' ' LEU . 11.0 m-85 -122.94 12.85 9.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.862 HG11 ' CG1' ' A' ' 72' ' ' VAL . 5.1 m -134.5 144.59 34.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.564 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -127.46 106.99 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.618 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.2 m-85 -47.56 123.83 6.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.556 HG12 ' CG ' ' A' ' 51' ' ' TYR . 24.1 m -87.81 165.41 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.501 ' HB2' HG13 ' A' ' 50' ' ' VAL . 91.4 m-70 -133.8 85.06 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.619 ' HG ' HG13 ' A' ' 80' ' ' VAL . 8.6 tp -40.52 114.41 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.553 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 69.4 m -120.65 158.8 26.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.512 1.132 . . . . 0.0 108.3 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.8 p -126.23 110.33 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.507 ' HB1' ' HB3' ' A' ' 42' ' ' LEU . . . -40.32 131.61 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.493 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 19.3 ttt180 -86.54 -25.97 24.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.493 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 32.1 m-85 -154.82 131.99 11.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.4 130.64 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.493 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 11.0 t80 -126.37 154.2 43.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 111.033 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.419 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -148.35 96.73 3.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.76 11.52 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.656 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 2.4 m-85 -91.08 26.9 2.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -110.37 -28.24 8.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.83 -176.03 35.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.135 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.96 -0.07 9.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.552 1.817 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -39.17 116.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -79.25 -3.85 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.518 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 4.1 t-20 -137.14 60.52 28.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.656 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -74.98 -37.14 2.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 3.0 pt-20 -61.71 -30.62 70.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.518 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -56.04 -43.14 77.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.475 ' O ' HD23 ' A' ' 40' ' ' LEU . 39.6 mt-10 -90.24 -177.58 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.658 HD11 ' O ' ' A' ' 68' ' ' GLN . 10.9 mt -129.26 137.16 30.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.0 94.54 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.56 HD21 HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -61.05 170.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.579 ' O ' ' C ' ' A' ' 44' ' ' ALA . 16.8 m -157.6 94.04 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.408 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.579 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -25.05 115.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.514 ' O ' HG23 ' A' ' 21' ' ' VAL . . . 105.28 -48.11 1.0 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' THR . 29.8 mmtt -50.25 162.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 20' ' ' CYS . 36.4 m-85 -125.71 158.19 35.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.597 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -153.19 167.89 27.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 63' ' ' GLU . 52.5 m-85 -118.9 115.38 24.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.67 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -105.9 112.53 39.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.556 ' CG ' HG12 ' A' ' 17' ' ' VAL . 84.0 m-85 -77.76 135.19 37.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.4 175.9 18.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -79.86 -166.79 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -44.51 154.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 111.039 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' PHE . 23.7 t0 -87.19 170.31 11.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -46.69 -39.56 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.5 -26.18 28.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.35 -14.56 8.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' ASP . 11.0 m-85 -69.26 164.6 22.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.67 ' HB3' HG21 ' A' ' 50' ' ' VAL . 4.1 m-85 -111.3 132.12 54.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -77.31 60.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.45 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -61.47 155.45 36.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' TYR . 35.1 tt0 -128.71 95.94 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.647 HD13 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -41.64 147.27 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.92 -17.62 17.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -80.88 -26.75 36.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.75 -2.74 11.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.658 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -62.76 122.46 15.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -110.79 116.31 31.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -160.5 -179.97 35.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 72' ' ' VAL . 89.5 mt -70.77 162.43 29.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.918 ' CG1' HG11 ' A' ' 77' ' ' VAL . 77.3 t -157.58 123.86 2.51 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.635 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.4 Cg_endo -75.0 134.18 17.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.814 ' HA ' HG22 ' A' ' 77' ' ' VAL . 25.5 t -73.61 -0.92 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 4.5 t30 -93.69 -9.13 38.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 29.3 m-85 -122.4 6.95 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.918 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.0 m -126.84 147.29 31.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.548 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -128.28 105.95 8.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 54.0 m-85 -48.66 103.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.619 HG13 ' HG ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.679 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 2.5 t -105.09 161.83 4.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.468 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 12.0 m-70 -152.51 101.25 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.617 ' CD2' HG13 ' A' ' 80' ' ' VAL . 5.5 tp -65.35 118.05 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' A' ' 79' ' ' PHE . 53.2 m -118.93 152.59 36.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.262 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 46' ' ' LYS . 4.2 p -120.61 125.03 73.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.92 126.83 19.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.532 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 40.0 ttt180 -85.63 -27.41 25.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 30.7 m-85 -153.71 128.94 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.09 127.26 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -140.58 140.61 35.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.34 116.8 12.14 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.39 6.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.611 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 4.2 m-85 -86.34 31.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.05 -16.53 12.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.2 -174.92 19.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.97 -1.21 10.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -39.43 118.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.86 -5.06 52.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.549 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 5.2 t-20 -137.52 60.33 25.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.611 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.99 -33.24 4.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.772 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.4 pt-20 -62.25 -28.49 69.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.549 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -58.15 -45.63 87.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' O ' HD23 ' A' ' 40' ' ' LEU . 50.2 mt-10 -83.54 -171.1 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.346 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.914 HD13 HD13 ' A' ' 64' ' ' LEU . 11.7 mt -135.63 141.5 37.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 91.84 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.768 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.782 HD21 HG13 ' A' ' 72' ' ' VAL . 14.0 mt -66.24 153.16 43.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.616 ' O ' ' C ' ' A' ' 44' ' ' ALA . 6.7 m -143.22 94.7 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.616 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -22.13 113.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.95 -42.76 1.84 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.8 mttm -49.88 169.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.494 ' HD1' HG11 ' A' ' 80' ' ' VAL . 63.2 m-85 -130.05 163.54 26.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.474 HD23 ' C ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -162.81 160.25 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.467 ' O ' ' N ' ' A' ' 63' ' ' GLU . 50.8 m-85 -114.9 122.4 46.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 60' ' ' TYR . 1.7 t -97.55 108.06 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.679 ' CE1' ' CG2' ' A' ' 17' ' ' VAL . 75.0 m-85 -87.0 112.77 22.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.68 -107.67 2.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -176.42 -173.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 0.741 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.3 mtm -42.24 148.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -102.59 -174.54 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 7.6 mt-10 -78.17 79.75 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 2.9 m-20 161.72 -37.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.09 49.49 0.41 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -133.45 159.85 39.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.571 ' CD1' HG11 ' A' ' 50' ' ' VAL . 1.8 m-85 -107.22 138.21 43.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' N ' HG13 ' A' ' 50' ' ' VAL . 86.2 mt-10 -82.17 60.27 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.461 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -60.03 156.02 29.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -134.25 101.92 5.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 0.734 . . . . 0.0 110.343 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.914 HD13 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -44.75 148.42 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.596 ' H ' HD12 ' A' ' 65' ' ' LEU . 5.6 mp -57.32 -16.9 9.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.6 -20.84 28.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.73 -27.31 5.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.574 ' HB3' HD22 ' A' ' 64' ' ' LEU . 1.5 tt0 -54.21 115.32 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.509 ' HA ' HD11 ' A' ' 40' ' ' LEU . 3.1 ptp85 -118.41 146.19 44.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -169.58 -161.74 20.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.145 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' ALA . 52.9 mt -81.06 150.13 28.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.782 HG13 HD21 ' A' ' 42' ' ' LEU . 21.5 t -153.08 130.18 5.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.674 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -75.02 131.31 14.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.663 ' HA ' HG22 ' A' ' 77' ' ' VAL . 78.5 p -69.17 -6.28 27.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.416 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 1.1 m-20 -92.29 0.41 57.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 75' ' ' ASN . 5.7 m-85 -132.86 24.46 4.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.663 HG22 ' HA ' ' A' ' 74' ' ' SER . 9.4 m -144.67 160.31 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.5 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -142.57 107.15 4.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.556 ' CE1' ' SG ' ' A' ' 20' ' ' CYS . 3.1 m-85 -49.34 90.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.617 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.3 p . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.657 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.6 t -93.25 159.71 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 26.4 m-70 -148.97 108.72 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.657 ' HG ' HG21 ' A' ' 80' ' ' VAL . 9.0 tp -71.42 125.74 27.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.593 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 85.1 m -126.23 173.06 9.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 21' ' ' VAL . 2.6 p -142.69 105.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -38.91 119.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.59 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 13.4 ttt180 -79.29 -25.71 42.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 31.7 m-85 -154.48 123.44 6.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 t -45.1 136.02 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 27' ' ' ASN . 6.0 t80 -147.57 148.62 31.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.468 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -138.68 119.06 9.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.62 5.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.448 1.762 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.626 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.9 m-85 -86.35 30.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.53 -13.43 12.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.42 -174.16 17.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.95 -0.08 9.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 m-20 -39.43 120.05 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -81.03 -6.09 58.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.495 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 1.8 t-20 -138.48 60.37 20.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.626 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.89 -32.93 5.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 3.1 pt-20 -62.29 -27.51 69.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 37' ' ' GLU . . . -60.86 -45.42 94.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 40' ' ' LEU . 48.0 mt-10 -83.69 -173.85 4.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.747 HD13 HD13 ' A' ' 64' ' ' LEU . 12.7 mt -132.88 143.38 48.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 92.24 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.873 HD11 ' HD2' ' A' ' 73' ' ' PRO . 12.8 mt -64.74 155.59 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 44' ' ' ALA . 68.5 m -144.38 105.12 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.437 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.497 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -33.18 115.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.501 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.38 -48.01 1.01 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.458 ' CG ' ' HB ' ' A' ' 43' ' ' THR . 20.2 mttt -48.39 151.56 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CD2' HG23 ' A' ' 21' ' ' VAL . 54.7 m-85 -115.48 149.03 38.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.66 HD11 HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -141.81 170.29 15.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' GLU . 50.1 m-85 -123.9 121.56 35.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.603 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.6 t -95.29 117.3 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.657 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 21.7 m-85 -95.78 103.66 15.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.82 -131.41 10.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.2 -169.25 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.786 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.35 127.72 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -76.97 169.01 19.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.3 -15.94 18.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -98.43 -16.42 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.31 44.48 3.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -134.12 176.61 8.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.603 ' CD1' HG11 ' A' ' 50' ' ' VAL . 4.8 m-85 -111.02 132.34 54.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -80.39 60.17 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.72 143.13 45.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.564 1.165 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' TYR . 25.5 tt0 -115.73 91.24 3.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 0.778 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.747 HD13 HD13 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -37.85 144.73 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.3 mt -51.75 -23.85 5.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -33.13 59.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 128.53 -4.8 6.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.509 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -57.4 123.04 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.284 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -110.46 110.22 20.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.96 -177.18 25.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.586 1.178 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 72' ' ' VAL . 76.5 mt -75.75 162.28 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.954 ' CG1' HG11 ' A' ' 77' ' ' VAL . 72.6 t -157.64 127.52 3.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.873 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -75.02 134.21 17.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.689 ' HA ' HG22 ' A' ' 77' ' ' VAL . 82.4 p -74.52 -2.29 25.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.416 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -96.33 1.9 52.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 8.0 m-85 -135.05 13.31 3.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.954 HG11 ' CG1' ' A' ' 72' ' ' VAL . 8.2 m -137.79 145.58 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -128.42 129.22 45.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.593 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.9 m-85 -66.6 54.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.657 HG21 ' HG ' ' A' ' 19' ' ' LEU . 2.2 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mttt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.557 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.4 t -102.54 158.98 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 9.1 m-70 -146.89 108.0 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.621 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.622 ' CD2' HG13 ' A' ' 80' ' ' VAL . 6.3 tp -70.72 120.87 16.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.489 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 77.8 m -123.31 156.74 34.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 108.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 46' ' ' LYS . 4.2 p -128.5 117.34 44.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.03 131.74 9.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 41.9 ttt180 -89.16 -27.99 20.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 26.6 m-85 -149.18 129.15 13.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.8 123.68 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -137.13 143.6 42.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.32 118.14 13.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.33 8.34 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.618 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.1 m-85 -87.26 30.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.07 -16.27 13.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.62 -175.82 19.61 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -74.99 -0.81 10.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -39.52 118.47 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.78 -4.84 51.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.575 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 6.3 t-20 -137.59 60.38 25.29 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.618 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.1 Cg_endo -75.0 -34.04 4.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.8 pt-20 -62.03 -28.72 69.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.575 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -58.26 -47.02 84.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.0 -172.26 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.714 HD13 ' HG ' ' A' ' 64' ' ' LEU . 14.4 mt -134.47 143.54 47.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 90.95 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.983 HD11 ' HD2' ' A' ' 73' ' ' PRO . 4.2 mt -61.97 145.53 52.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.7 m -138.6 100.31 4.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -31.43 108.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.513 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 114.09 -45.0 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.9 mttt -46.19 162.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.741 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.408 ' HD1' HG11 ' A' ' 80' ' ' VAL . 80.6 m-85 -124.01 146.07 48.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.439 HD11 HG11 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -147.9 164.14 34.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.575 ' CE1' HD13 ' A' ' 19' ' ' LEU . 63.5 m-85 -122.32 124.17 43.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.622 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.1 t -96.98 116.58 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.557 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 38.9 m-85 -94.08 98.59 11.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.94 171.95 25.38 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.426 1.079 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -70.16 -157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.417 ' HG3' ' HA2' ' A' ' 58' ' ' GLY . 0.8 OUTLIER -63.03 149.53 44.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -76.7 178.17 6.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -52.99 -31.83 43.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.54 -19.25 21.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.417 ' HA2' ' HG3' ' A' ' 54' ' ' MET . . . 116.26 -19.03 13.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.433 1.083 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -58.48 165.74 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 0.745 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.622 ' CD1' HG11 ' A' ' 50' ' ' VAL . 2.2 m-85 -107.47 121.13 44.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.84 59.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.75 148.76 41.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.8 OUTLIER -115.6 111.75 21.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.714 ' HG ' HD13 ' A' ' 40' ' ' LEU . 3.9 mt -52.96 -172.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.1 mt -86.36 -38.88 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -68.56 -22.92 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.78 4.69 9.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.494 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -61.04 120.18 9.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -111.83 104.27 12.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.25 -173.82 13.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.476 ' C ' HG23 ' A' ' 72' ' ' VAL . 82.3 mt -80.17 159.07 26.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.805 HG12 HG11 ' A' ' 77' ' ' VAL . 47.5 t -154.72 129.45 4.91 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.983 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -75.01 133.61 16.78 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.79 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.727 ' HA ' HG22 ' A' ' 77' ' ' VAL . 86.3 p -74.62 -1.93 23.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.03 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.42 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 14.4 m-20 -97.06 1.47 50.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 6.8 m-85 -134.79 14.32 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.805 HG11 HG12 ' A' ' 72' ' ' VAL . 4.4 m -129.64 154.35 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.483 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -135.92 106.17 6.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.489 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 40.2 m-85 -50.02 89.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.622 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.4 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.7 ' CG2' ' CE2' ' A' ' 51' ' ' TYR . 4.9 t -120.85 147.63 24.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.481 ' HB2' HG13 ' A' ' 50' ' ' VAL . 39.3 m-70 -125.89 76.77 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.641 ' CD2' HG13 ' A' ' 80' ' ' VAL . 1.7 tp -44.26 120.64 2.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.548 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 6.5 m -117.49 166.91 11.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 108.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.669 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.5 p -133.66 101.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -39.27 127.88 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -90.39 -32.75 16.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.417 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 28.5 m-85 -138.2 130.09 28.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.14 105.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 53.2 t80 -105.69 138.27 42.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -137.02 108.78 8.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.431 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.01 -33.04 4.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 34.2 m-85 -84.27 27.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -111.86 -29.27 7.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.84 177.88 33.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.0 0.99 8.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 m-20 -34.96 148.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' C ' ' HD3' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -101.21 -11.58 19.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.616 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 5.6 t-20 -135.09 60.26 38.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -75.02 -34.85 3.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -61.51 -27.33 68.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.616 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -62.03 -47.0 86.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.32 -173.51 3.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.666 HD11 ' O ' ' A' ' 68' ' ' GLN . 11.4 mt -134.65 139.1 31.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 18.4 Cg_endo -75.0 90.31 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.787 HD11 HG13 ' A' ' 72' ' ' VAL . 51.5 mt -67.94 154.95 40.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.554 ' O ' ' C ' ' A' ' 44' ' ' ALA . 18.9 m -136.75 99.26 4.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 110.366 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.554 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -27.76 116.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.51 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 104.06 -47.82 1.05 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.48 1.112 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' THR . 22.7 mmtt -51.85 163.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.534 ' HD1' HG11 ' A' ' 80' ' ' VAL . 49.2 m-85 -119.27 159.47 24.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.733 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -154.74 154.02 32.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.4 m-85 -106.08 112.56 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.717 HG21 ' HB3' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -106.59 116.98 51.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 17' ' ' VAL . 69.1 m-85 -86.93 135.55 33.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.5 -168.59 54.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -106.12 -172.93 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.417 ' SD ' ' CZ ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -46.57 145.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -85.88 -178.38 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.09 -23.18 67.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.25 -28.22 20.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.59 36.85 2.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.458 ' CB ' HD22 ' A' ' 71' ' ' LEU . 9.6 m-85 -123.39 164.77 18.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.717 ' HB3' HG21 ' A' ' 50' ' ' VAL . 1.9 m-85 -111.8 128.36 56.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.61 61.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.51 ' HA3' HG21 ' A' ' 72' ' ' VAL . . . -64.94 152.88 50.71 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' TYR . 33.5 tt0 -129.71 89.14 2.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 110.365 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.556 HD13 HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -38.04 150.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.56 -15.36 37.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -82.74 -14.23 54.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.6 -2.84 36.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.666 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.8 tt0 -61.13 119.32 8.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 0.761 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -109.23 129.73 55.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -177.57 -163.97 30.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.476 ' C ' HG23 ' A' ' 72' ' ' VAL . 83.5 mt -82.04 163.86 21.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.895 ' CG1' HG11 ' A' ' 77' ' ' VAL . 96.1 t -155.62 124.07 2.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.628 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.3 Cg_endo -74.98 128.23 11.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.444 1.76 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.877 ' HA ' HG22 ' A' ' 77' ' ' VAL . 76.2 p -68.37 -7.86 35.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.412 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 1.3 t-20 -89.09 -0.1 57.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 4.8 m-85 -133.02 11.62 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.895 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.2 m -130.0 146.01 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.598 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -129.34 106.83 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.548 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.2 m-85 -47.75 92.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.641 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.4 p . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.5 ' CG2' ' CE2' ' A' ' 51' ' ' TYR . 2.0 t -100.27 159.59 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.433 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 15.5 m-70 -142.78 114.13 7.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.634 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.656 ' HG ' HG13 ' A' ' 80' ' ' VAL . 11.7 tp -74.46 115.69 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.557 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 64.3 m -121.54 156.72 32.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.323 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 78' ' ' ASP . 4.7 p -121.88 116.11 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 42' ' ' LEU . . . -40.21 119.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.565 ' NE ' ' CZ ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -69.15 -52.7 25.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.565 ' CZ ' ' NE ' ' A' ' 23' ' ' ARG . 55.2 m-85 -134.86 133.95 40.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 t -42.85 139.61 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.548 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 8.2 t80 -141.44 148.76 40.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.79 92.5 4.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -25.02 12.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.54 1.811 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 15.3 m-85 -85.98 19.21 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -110.48 -20.65 12.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.07 179.82 31.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.02 0.24 9.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 m-20 -38.85 125.86 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' C ' ' HD3' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -83.48 -11.24 57.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.267 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.552 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 6.1 t-20 -135.07 60.76 42.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.592 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.99 -34.03 4.14 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.484 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -61.68 -26.51 68.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.552 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -67.75 -8.21 33.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.49 ' O ' HD23 ' A' ' 40' ' ' LEU . 39.9 mt-10 -124.67 172.93 8.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.981 HD13 HD13 ' A' ' 64' ' ' LEU . 10.1 mt -123.47 135.6 26.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 84.68 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.898 HD21 HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -51.35 163.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.649 ' O ' ' C ' ' A' ' 44' ' ' ALA . 11.8 m -149.81 86.22 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.423 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.649 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -17.6 112.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.444 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 108.59 -41.96 2.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 111.063 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 3.6 mttt -51.92 159.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.528 ' HD1' HG11 ' A' ' 80' ' ' VAL . 66.8 m-85 -125.69 144.41 50.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.476 HD23 ' N ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -137.87 -173.79 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 63' ' ' GLU . 73.8 m-85 -137.39 119.61 15.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.617 HG11 ' CD1' ' A' ' 60' ' ' TYR . 1.8 t -94.69 105.82 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.5 ' CE2' ' CG2' ' A' ' 17' ' ' VAL . 35.6 m-85 -80.97 117.05 21.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.32 -125.69 8.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -152.01 -171.99 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 53' ' ' ASP . 7.6 mtm -35.92 129.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -76.02 -176.3 3.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -48.82 -46.14 41.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.92 -20.52 27.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.33 -29.6 6.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -44.53 155.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.617 ' CD1' HG11 ' A' ' 50' ' ' VAL . 7.7 m-85 -100.65 123.15 44.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -76.07 55.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -54.39 137.35 42.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' TYR . 4.1 tt0 -105.42 95.01 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.981 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -40.03 153.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.1 mt -57.96 -21.96 46.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -82.27 -19.25 39.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.29 -4.64 25.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.504 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -54.92 124.3 16.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -108.41 101.33 10.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.88 165.13 26.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.443 ' C ' HG23 ' A' ' 72' ' ' VAL . 43.9 mt -66.25 157.26 31.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.898 HG13 HD21 ' A' ' 42' ' ' LEU . 46.5 t -152.84 126.06 4.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.97 129.07 12.02 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.549 ' HA ' HG22 ' A' ' 77' ' ' VAL . 84.3 p -59.94 -15.12 19.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -84.62 -1.94 56.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.728 ' HB3' HD23 ' A' ' 42' ' ' LEU . 6.4 m-85 -130.18 37.01 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 74' ' ' SER . 15.8 m -156.26 165.08 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.526 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -148.57 105.71 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.557 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 52.8 m-85 -50.59 88.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.656 HG13 ' HG ' ' A' ' 19' ' ' LEU . 1.2 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mttm . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.529 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 2.1 t -109.61 159.73 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.48 ' ND1' ' O ' ' A' ' 17' ' ' VAL . 14.7 m-70 -151.35 105.59 3.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.654 ' CD2' HG13 ' A' ' 80' ' ' VAL . 2.1 tp -74.16 120.65 20.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.501 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 1.6 m -116.06 166.88 11.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.298 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.671 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.5 p -138.22 101.3 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.371 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -33.06 124.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -82.7 -50.82 8.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.473 ' O ' ' CB ' ' A' ' 25' ' ' SER . 62.3 m-85 -126.03 -1.82 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.481 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER 82.93 -179.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.492 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 37.7 t80 178.72 105.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.05 114.36 65.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.415 ' HB2' ' HA ' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.0 -32.58 5.25 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 5.3 m-85 -86.46 34.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -113.23 -28.33 7.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.62 -177.3 31.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.03 0.97 8.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.7 m-20 -36.24 151.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.77 -8.94 15.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.501 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 5.6 t-20 -136.55 60.14 29.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.601 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -75.04 -33.53 4.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.795 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.7 pt-20 -60.46 -27.36 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.479 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -60.77 -40.07 91.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.447 ' O ' HD23 ' A' ' 40' ' ' LEU . 24.8 mt-10 -89.34 -176.15 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.804 HD11 ' O ' ' A' ' 68' ' ' GLN . 10.3 mt -127.98 138.18 32.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 18.3 Cg_endo -74.98 86.49 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.813 HD11 ' HD2' ' A' ' 73' ' ' PRO . 31.3 mt -57.64 149.33 21.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.9 m -134.27 93.81 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.348 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.575 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -25.87 113.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.487 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 108.89 -46.89 1.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.626 ' O ' HG23 ' A' ' 21' ' ' VAL . 10.1 mttt -48.52 176.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.485 ' HA ' ' O ' ' A' ' 20' ' ' CYS . 68.4 m-85 -134.95 148.37 50.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.786 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -149.93 157.67 43.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 63' ' ' GLU . 66.9 m-85 -113.16 131.08 55.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.602 HG11 ' CD1' ' A' ' 60' ' ' TYR . 4.2 t -102.08 116.54 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.529 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 40.5 m-85 -97.19 85.79 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.65 171.31 13.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -80.43 -162.09 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -56.45 155.15 7.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.29 176.78 6.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.44 -39.01 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.96 -16.81 32.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.57 43.74 2.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.452 ' CB ' HD22 ' A' ' 71' ' ' LEU . 9.1 m-85 -117.56 167.03 11.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.602 ' CD1' HG11 ' A' ' 50' ' ' VAL . 3.3 m-85 -110.49 128.62 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 50' ' ' VAL . 48.1 mt-10 -73.53 58.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.429 ' HA3' HG21 ' A' ' 72' ' ' VAL . . . -54.52 156.54 7.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 49' ' ' TYR . 39.9 tt0 -131.84 84.23 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.585 HD13 HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -36.73 152.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.74 -18.9 57.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.31 -2.83 56.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.63 1.15 66.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.804 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -62.17 118.41 7.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 0.773 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -106.79 113.2 26.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.464 ' CA ' ' HG ' ' A' ' 40' ' ' LEU . . . -159.68 171.76 36.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.511 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 87.4 mt -61.51 163.59 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.998 ' CG1' HG11 ' A' ' 77' ' ' VAL . 87.8 t -157.67 125.62 2.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.813 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -74.97 134.53 17.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.697 ' HA ' HG22 ' A' ' 77' ' ' VAL . 87.1 p -77.32 10.09 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.513 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -105.85 -11.35 16.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 25' ' ' SER . 85.1 m-85 -123.95 16.75 9.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.998 HG11 ' CG1' ' A' ' 72' ' ' VAL . 6.0 m -133.29 142.13 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.539 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -123.43 105.78 10.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -49.49 90.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.654 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.6 p . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mttt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.64 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.6 t -104.99 159.74 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 17' ' ' VAL . 20.9 m-70 -149.94 104.03 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.713 ' CD2' HG13 ' A' ' 80' ' ' VAL . 3.5 tp -70.1 119.62 14.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.604 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 12.2 m -115.51 165.41 13.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.8 p -135.08 100.18 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 42' ' ' LEU . . . -38.77 128.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -86.54 -37.33 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 27.3 m-85 -140.53 129.91 23.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.79 129.97 5.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.972 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.514 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 9.9 t80 -123.85 151.88 42.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.43 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 1.1 m120 -148.42 96.81 3.85 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.402 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.0 -16.78 20.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 1.2 m-85 -95.07 28.16 2.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -108.05 -24.84 11.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.22 -179.35 32.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.06 -0.32 9.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -38.49 119.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.65 -3.07 42.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.493 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 4.3 t-20 -138.68 60.49 19.8 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.639 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.98 -35.08 3.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.41 -21.95 65.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -60.42 -45.62 92.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.431 ' O ' HD23 ' A' ' 40' ' ' LEU . 22.4 mt-10 -86.35 -178.2 6.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.786 HD11 ' O ' ' A' ' 68' ' ' GLN . 9.1 mt -127.68 135.24 27.17 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 89.52 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.013 HD21 HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -58.77 167.87 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.612 ' O ' ' C ' ' A' ' 44' ' ' ALA . 18.8 m -150.75 95.82 2.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.612 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -22.19 114.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 103.63 -48.63 1.0 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 32.1 mttt -46.79 158.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.518 ' HD1' HG11 ' A' ' 80' ' ' VAL . 64.8 m-85 -117.84 156.4 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.747 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -157.88 153.64 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 63' ' ' GLU . 60.3 m-85 -108.77 131.26 55.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.597 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.8 t -101.56 111.8 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.64 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 34.5 m-85 -93.84 93.98 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.95 -135.15 8.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -151.44 -173.74 4.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.59 121.42 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -162.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.76 -27.04 57.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -88.93 -16.94 30.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.26 43.61 3.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -120.25 171.62 8.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 0.758 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.597 ' CD1' HG11 ' A' ' 50' ' ' VAL . 3.0 m-85 -112.76 129.26 56.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 50' ' ' VAL . 48.4 mt-10 -75.14 60.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.26 157.52 12.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 49' ' ' TYR . 24.1 tt0 -131.63 82.73 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.554 HD13 HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -35.37 146.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.4 mt -57.65 -18.43 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.13 -5.46 58.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.63 -3.06 60.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.786 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -59.58 121.49 11.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -110.8 125.25 53.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -174.96 -179.81 45.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 72' ' ' VAL . 92.6 mt -67.49 164.37 19.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.013 HG13 HD21 ' A' ' 42' ' ' LEU . 70.8 t -158.16 124.82 2.54 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.645 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.3 Cg_endo -74.95 127.01 10.38 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.895 ' HA ' HG22 ' A' ' 77' ' ' VAL . 54.4 p -67.81 -8.33 35.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -87.65 -1.69 58.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 4.7 m-85 -131.01 8.39 4.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.963 HG11 ' CG1' ' A' ' 72' ' ' VAL . 2.7 m -128.73 152.39 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.545 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -135.43 106.8 6.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.604 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.4 m-85 -47.45 92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.713 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.6 p . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.577 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 22.7 m -91.67 -170.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 70.4 m-70 -160.41 99.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.609 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.625 ' HG ' HG13 ' A' ' 80' ' ' VAL . 6.9 tp -58.22 114.44 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.608 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 57.4 m -118.81 162.9 17.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 108.265 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 46' ' ' LYS . 4.0 p -127.68 113.11 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -35.72 118.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.604 ' NE ' ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -67.48 -51.09 55.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.604 ' CZ ' ' NE ' ' A' ' 23' ' ' ARG . 43.0 m-85 -139.8 127.39 21.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' TYR . 0.7 OUTLIER -38.91 120.69 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -135.87 147.69 48.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.35 118.43 8.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.407 ' HB2' ' HA ' ' A' ' 36' ' ' PRO . 18.1 Cg_endo -75.06 -30.99 6.5 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.79 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.61 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 4.0 m-85 -86.25 32.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -111.89 -24.34 10.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.04 -173.55 22.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.059 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.01 0.27 9.11 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -38.42 119.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.73 -5.6 57.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.578 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 6.0 t-20 -137.73 59.88 22.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.61 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.98 -34.52 3.77 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.9 pt-20 -60.96 -28.25 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.578 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -59.0 -46.92 86.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -82.59 -176.04 6.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.647 HD13 ' HG ' ' A' ' 64' ' ' LEU . 12.3 mt -129.42 141.19 40.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 90.95 1.05 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.698 HD21 HG13 ' A' ' 72' ' ' VAL . 10.5 mt -63.48 149.74 45.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.555 ' O ' ' C ' ' A' ' 44' ' ' ALA . 15.7 m -139.53 96.55 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.555 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -27.11 108.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 114.19 -45.57 1.29 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.664 ' O ' HG23 ' A' ' 21' ' ' VAL . 7.1 mttt -46.47 171.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.462 ' HA ' ' O ' ' A' ' 20' ' ' CYS . 72.7 m-85 -132.96 144.47 50.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.654 HD12 ' HA3' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -145.56 160.29 41.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 0.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 63' ' ' GLU . 71.7 m-85 -116.57 126.89 53.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.632 HG11 ' CD1' ' A' ' 60' ' ' TYR . 1.3 t -98.65 103.39 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.574 ' CD1' HG12 ' A' ' 17' ' ' VAL . 4.9 m-85 -69.19 121.15 16.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 18' ' ' HIS . . . 81.54 -118.36 4.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.72 -165.38 2.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 0.757 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.7 mtm -37.29 145.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -90.18 178.77 6.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -62.7 -25.68 68.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.84 -20.73 21.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.98 -18.01 24.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -69.69 166.64 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 0.723 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.632 ' CD1' HG11 ' A' ' 50' ' ' VAL . 2.0 m-85 -103.83 119.76 39.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -69.89 58.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.654 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -58.41 152.93 28.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.9 tm-20 -121.69 115.36 22.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.647 ' HG ' HD13 ' A' ' 40' ' ' LEU . 5.6 mt -54.51 -172.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.1 mt -85.83 -40.48 15.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.1 -7.15 47.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.21 -0.74 37.86 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.509 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -56.95 121.41 9.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 0.804 . . . . 0.0 110.302 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -108.42 150.32 27.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 174.76 -175.63 46.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 38' ' ' ALA . 71.1 mt -83.98 154.95 23.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.698 HG13 HD21 ' A' ' 42' ' ' LEU . 30.6 t -151.46 132.4 7.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.698 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.2 Cg_endo -74.97 133.78 17.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 40.0 t -70.48 -2.92 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -97.09 1.77 50.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.559 ' O ' HD13 ' A' ' 42' ' ' LEU . 5.7 m-85 -137.53 39.41 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.492 HG11 ' CG1' ' A' ' 72' ' ' VAL . 10.8 m -154.64 151.35 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.506 ' HB3' HG12 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -135.7 107.61 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.608 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 57.5 m-85 -52.28 86.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.625 HG13 ' HG ' ' A' ' 19' ' ' LEU . 2.1 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.699 ' CG2' ' CE2' ' A' ' 51' ' ' TYR . 3.5 t -106.76 147.23 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.484 ' HB2' HG13 ' A' ' 50' ' ' VAL . 96.8 m-70 -129.67 82.97 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.573 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.609 ' HG ' HG13 ' A' ' 80' ' ' VAL . 5.4 tp -52.66 122.75 9.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.632 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 57.1 m -122.26 159.64 26.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.326 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 78' ' ' ASP . 4.9 p -126.88 109.9 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 42' ' ' LEU . . . -39.86 134.36 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HB3' ' CD2' ' A' ' 24' ' ' TYR . 34.3 ttt180 -92.4 -29.75 16.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 23' ' ' ARG . 38.3 m-85 -146.32 130.27 17.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -45.58 137.24 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.512 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 10.4 t80 -134.04 153.64 51.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.432 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -150.12 95.69 3.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.16 13.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.621 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 2.0 m-85 -90.86 26.09 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.59 -14.0 14.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.39 -178.37 21.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.0 -2.57 12.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -39.47 118.27 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.89 -2.63 40.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.601 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 5.0 t-20 -138.7 60.18 18.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.621 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.1 Cg_endo -75.0 -33.04 4.88 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 3.1 pt-20 -63.72 -27.25 69.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.601 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -60.11 -15.31 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -120.03 175.71 5.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.838 HD13 ' HG ' ' A' ' 64' ' ' LEU . 10.9 mt -123.39 136.85 27.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -75.03 88.12 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.69 HD21 ' HD2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -55.66 165.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.639 ' O ' ' C ' ' A' ' 44' ' ' ALA . 5.1 m -154.39 88.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.639 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -17.58 108.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.488 ' O ' HG23 ' A' ' 21' ' ' VAL . . . 110.86 -43.52 1.7 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.48 ' CG ' ' HB ' ' A' ' 43' ' ' THR . 15.6 mttt -46.68 162.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.418 ' HB3' HD11 ' A' ' 19' ' ' LEU . 79.5 m-85 -125.6 147.03 49.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.728 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -149.5 163.17 38.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.495 ' CE1' HD13 ' A' ' 19' ' ' LEU . 64.4 m-85 -115.87 114.3 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.666 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.2 p -104.25 121.42 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.699 ' CE2' ' CG2' ' A' ' 17' ' ' VAL . 51.8 m-85 -94.06 145.48 24.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.02 -178.01 22.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -80.91 -154.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.53 150.5 47.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -75.45 173.16 11.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -48.25 -33.78 9.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -93.59 -22.53 18.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.38 -25.97 5.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 71' ' ' LEU . 8.3 m-85 -51.11 155.24 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.666 ' HB3' HG21 ' A' ' 50' ' ' VAL . 2.0 m-85 -105.99 126.83 52.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.42 62.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' TYR . . . -66.1 153.34 51.85 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.1 tm-20 -125.26 116.03 21.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.261 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.838 ' HG ' HD13 ' A' ' 40' ' ' LEU . 5.4 mt -54.92 -171.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.2 mt -94.32 -6.88 43.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 109.243 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -101.89 -6.17 23.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.7 4.85 42.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.487 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -64.38 120.37 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 0.733 . . . . 0.0 110.307 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -107.26 98.46 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.57 165.78 24.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 59' ' ' PHE . 37.4 mt -63.91 162.65 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.963 HG12 HG11 ' A' ' 77' ' ' VAL . 81.1 t -155.76 122.71 2.7 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.765 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.4 Cg_endo -75.0 129.77 12.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.838 ' HA ' HG22 ' A' ' 77' ' ' VAL . 32.4 t -69.2 -7.35 35.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -89.91 -1.76 58.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 5.1 m-85 -131.67 11.65 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.963 HG11 HG12 ' A' ' 72' ' ' VAL . 2.9 m -127.69 153.35 36.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.579 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -135.23 107.36 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.632 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.9 m-85 -47.63 110.15 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.609 HG13 ' HG ' ' A' ' 19' ' ' LEU . 1.1 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 54.65 85.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 109.974 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 t -82.43 -53.54 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.92 -156.63 17.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.128 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m 71.79 -68.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.006 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.32 159.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.48 -55.21 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -164.1 150.3 11.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m -51.13 105.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -82.17 -68.18 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -132.36 139.42 48.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.42 ' CZ ' ' O ' ' A' ' 54' ' ' MET . 14.7 mtt-85 -93.74 43.65 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -170.54 50.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 t 174.13 -33.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' LYS . . . -62.92 169.23 17.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -40.09 154.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 0.801 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.417 ' HB ' ' CD1' ' A' ' 51' ' ' TYR . 5.5 p -119.12 153.25 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.422 ' HB2' HG13 ' A' ' 50' ' ' VAL . 88.2 m-70 -120.75 140.39 51.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.634 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.648 ' CD2' HG13 ' A' ' 80' ' ' VAL . 1.3 tp -97.65 118.44 34.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.498 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 66.7 m -118.77 158.9 24.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.581 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.4 p -124.5 108.78 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -35.86 123.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.488 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.9 ttt180 -83.53 -27.74 29.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.065 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 31.5 m-85 -150.8 124.95 9.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.1 p -44.19 121.15 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 27' ' ' ASN . 22.6 t80 -126.93 152.02 47.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -146.8 113.87 4.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -30.5 7.06 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.449 1.762 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.62 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.6 m-85 -87.21 30.95 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.97 -15.75 12.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.69 -175.35 19.07 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.03 -0.71 10.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -39.71 118.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.9 -5.48 53.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.562 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 6.3 t-20 -136.93 60.58 30.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.62 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.5 Cg_endo -74.98 -34.03 4.16 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.517 1.799 . . . . 0.0 111.047 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.0 pt-20 -61.99 -28.59 69.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.562 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -57.47 -48.53 78.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.448 ' O ' HD23 ' A' ' 40' ' ' LEU . 40.7 mt-10 -81.24 -172.53 3.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 62' ' ' GLY . 12.9 mt -134.59 141.48 39.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -75.0 94.11 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.774 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.852 HD11 ' HD2' ' A' ' 73' ' ' PRO . 12.6 mt -69.81 146.63 51.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.493 ' O ' ' C ' ' A' ' 44' ' ' ALA . 44.0 m -131.55 104.29 6.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -33.78 117.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.53 -43.73 1.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.4 mtmt -58.9 163.91 3.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.563 ' HD1' HG11 ' A' ' 80' ' ' VAL . 25.1 m-85 -123.1 164.4 18.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.746 HD11 HG11 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -153.82 162.69 41.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' GLU . 49.4 m-85 -115.28 107.82 15.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.639 HG21 ' CD1' ' A' ' 60' ' ' TYR . 1.5 p -98.03 113.88 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.417 ' CD1' ' HB ' ' A' ' 17' ' ' VAL . 92.9 m-85 -80.03 142.1 35.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.18 -130.9 11.71 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.85 -167.24 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.798 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.42 ' O ' ' CZ ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -37.48 142.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 111.026 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.4 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 16.1 t70 -91.66 174.05 7.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.072 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.74 -26.71 67.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.18 -31.63 19.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 112.55 36.92 1.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -126.63 166.49 17.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.987 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.639 ' CD1' HG21 ' A' ' 50' ' ' VAL . 3.7 m-85 -110.32 128.32 55.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -75.27 56.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.579 ' O ' HD12 ' A' ' 40' ' ' LEU . . . -60.67 141.86 48.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' TYR . 33.8 tt0 -113.24 97.29 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.736 . . . . 0.0 110.258 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.552 HD13 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -41.47 153.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.27 -17.26 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -84.29 -11.82 55.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.73 -3.11 36.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.522 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -60.82 123.22 16.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.778 . . . . 0.0 110.283 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -112.39 121.94 46.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -168.67 -177.84 39.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 72' ' ' VAL . 82.6 mt -70.74 163.27 27.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.901 ' CG1' HG11 ' A' ' 77' ' ' VAL . 70.6 t -158.06 125.06 2.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.852 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -75.02 130.48 13.29 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.827 ' HA ' HG22 ' A' ' 77' ' ' VAL . 32.5 t -70.52 -6.59 37.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 1.2 t30 -90.43 -2.98 57.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -127.97 8.65 6.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.901 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.3 m -129.25 144.62 37.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -123.99 107.41 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.498 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 33.8 m-85 -50.18 88.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.648 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.6 p -69.06 166.61 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.498 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 55.0 mt-30 -139.11 135.17 33.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -63.94 -64.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -149.03 89.21 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' HG2' ' NE2' ' A' ' 81' ' ' GLN . 0.2 OUTLIER -42.15 -65.95 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.65 106.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.58 -55.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -101.97 170.22 8.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.99 -2.22 46.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.0 t 64.84 132.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.6 t -119.44 -38.09 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 t -112.87 155.09 25.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.56 177.55 20.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 176.75 9.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.3 p -117.69 161.46 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.6 p -71.73 141.01 49.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.96 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.431 1.082 . . . . 0.0 110.98 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -85.16 -58.44 2.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 110.02 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -166.15 110.3 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.98 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.11 -176.01 41.85 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -126.1 -58.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.51 127.56 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.77 97.63 0.86 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -143.53 138.17 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 0.722 . . . . 0.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 p -92.79 117.47 30.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -85.01 -62.29 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -133.74 139.99 46.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -48.9 132.0 18.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 43.84 51.31 6.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.19 21.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.83 -163.53 35.46 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -90.67 140.59 29.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.646 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 2.1 t -82.35 129.87 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.524 ' HB2' HG13 ' A' ' 50' ' ' VAL . 23.5 m-70 -119.25 108.64 14.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 81' ' ' GLN . 6.0 tp -68.14 119.26 12.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.619 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 83.0 m -123.08 154.85 38.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.289 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.515 HG23 ' CD1' ' A' ' 47' ' ' TYR . 3.1 p -120.55 114.77 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -43.5 130.41 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.488 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 4.4 ttt180 -88.64 -27.76 21.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 30.2 m-85 -151.0 128.49 11.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.55 118.82 2.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.035 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -128.15 146.11 50.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.07 116.26 8.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.41 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -74.99 -30.74 6.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 46.2 m-85 -84.67 29.2 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 30' ' ' ASP . 4.6 t0 -110.7 -28.01 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.25 -178.84 28.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.98 0.39 8.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.439 1.757 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -37.27 121.91 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.07 -5.0 55.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.507 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 2.0 t-20 -138.63 59.69 17.48 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.604 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -75.0 -34.64 3.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.451 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 1.7 pt-20 -61.3 -30.64 70.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.507 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -57.17 -47.76 80.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.06 -174.45 4.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.692 HD13 HD13 ' A' ' 64' ' ' LEU . 12.8 mt -133.82 142.69 44.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.87 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.997 HD11 ' HD2' ' A' ' 73' ' ' PRO . 9.9 mt -68.2 152.52 45.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 44' ' ' ALA . 27.7 m -140.93 103.69 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.72 116.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.52 -46.64 1.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -53.73 166.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.515 ' CD1' HG23 ' A' ' 21' ' ' VAL . 33.1 m-85 -128.54 163.99 23.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.723 HD11 HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -157.82 161.85 38.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' HB3' HG13 ' A' ' 17' ' ' VAL . 48.9 m-85 -112.35 108.97 18.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.4 p -100.04 117.65 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.646 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 24.1 m-85 -83.24 143.01 30.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 18' ' ' HIS . . . 67.56 -153.89 52.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -119.0 -174.32 2.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.0 mtm -44.54 146.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.21 -164.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.54 -26.62 55.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -86.79 -27.41 23.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.67 45.7 1.38 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.488 ' CB ' HD22 ' A' ' 71' ' ' LEU . 7.0 m-85 -132.14 161.92 32.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 110.97 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.614 ' HB3' HG21 ' A' ' 50' ' ' VAL . 5.0 m-85 -106.55 132.23 52.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -78.9 52.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.551 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -53.76 145.64 23.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' TYR . 44.0 tt0 -117.56 94.69 4.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.692 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -39.74 146.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.0 mt -55.43 -22.54 20.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -77.11 -28.88 54.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.88 -5.4 8.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.426 1.079 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.484 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.2 tt0 -57.53 121.8 11.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -111.04 111.19 22.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -155.42 -173.91 24.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 72' ' ' VAL . 93.8 mt -75.74 163.23 27.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.758 ' CG1' HG11 ' A' ' 77' ' ' VAL . 73.0 t -157.23 122.98 2.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.997 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -74.97 127.41 10.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.78 ' HA ' HG22 ' A' ' 77' ' ' VAL . 31.1 t -66.68 -10.57 47.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -86.79 -0.09 55.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CB ' HD12 ' A' ' 42' ' ' LEU . 6.9 m-85 -131.29 16.98 4.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.78 HG22 ' HA ' ' A' ' 74' ' ' SER . 4.9 m -140.18 150.8 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -129.07 107.55 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.619 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.9 m-85 -47.89 91.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.626 HG13 ' HG ' ' A' ' 19' ' ' LEU . 1.1 p -73.39 164.63 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.655 ' O ' HD23 ' A' ' 19' ' ' LEU . 3.2 pt20 -75.45 -144.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 81' ' ' GLN . 1.6 t0 84.39 -45.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -160.12 91.37 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.09 -60.61 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.6 p -167.69 140.92 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.24 -54.85 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 mt -97.32 152.36 18.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.24 -179.51 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.98 147.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -163.74 145.76 9.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 88.2 p -160.78 157.59 27.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.15 96.28 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.15 27.7 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.5 p -171.21 170.25 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -58.67 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -81.54 100.23 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.14 135.39 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.62 156.08 21.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -116.18 148.12 40.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.97 144.32 6.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.38 172.49 41.68 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.5 p -79.78 95.24 5.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 110.438 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 p 46.51 86.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -62.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -133.56 139.64 46.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -93.14 38.86 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.42 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 28.8 p90 -175.96 58.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.4 t -173.96 -38.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' LYS . . . -55.81 166.67 3.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -39.69 151.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 49' ' ' TYR . 4.2 p -121.07 163.65 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.438 ' HB2' HG13 ' A' ' 50' ' ' VAL . 81.9 m-70 -136.79 136.1 38.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.607 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.789 ' CD2' HG13 ' A' ' 80' ' ' VAL . 2.1 tp -92.17 118.56 30.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.587 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 35.3 m -118.75 149.22 41.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.7 p -114.14 110.0 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -38.46 127.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 15.1 ttt180 -86.15 -30.54 22.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.469 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 27.2 m-85 -148.89 133.62 17.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.75 119.96 5.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.045 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 57.8 t80 -128.59 141.96 51.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.74 115.12 12.25 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.65 8.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.615 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.1 m-85 -87.63 31.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.94 -18.14 12.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.14 -176.29 20.9 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 -0.86 10.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -39.38 120.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.71 -4.43 54.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.269 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.497 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 4.3 t-20 -137.98 60.44 23.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.615 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -74.99 -33.11 4.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.782 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.9 pt-20 -62.37 -28.9 70.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -57.31 -47.09 82.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' O ' HD23 ' A' ' 40' ' ' LEU . 46.3 mt-10 -82.86 -172.98 4.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.78 HD13 HD13 ' A' ' 64' ' ' LEU . 13.4 mt -134.57 142.94 44.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 18.2 Cg_endo -75.06 92.29 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.025 HD11 ' HD2' ' A' ' 73' ' ' PRO . 8.8 mt -64.99 148.56 51.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 23.7 m -136.57 103.78 5.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.75 118.06 0.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.506 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 104.08 -43.82 1.6 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 43' ' ' THR . 15.3 mmtt -57.72 161.75 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.613 ' HD2' HG11 ' A' ' 80' ' ' VAL . 21.6 m-85 -119.67 171.52 8.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.941 HD11 HG11 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -164.83 156.97 15.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 63' ' ' GLU . 41.3 m-85 -110.06 109.66 20.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.598 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.4 p -97.26 109.37 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -76.48 144.94 39.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.82 -137.93 37.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -129.86 -175.25 3.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.407 ' CE ' ' CZ ' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -44.21 159.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -95.9 173.23 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.71 -12.79 50.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -92.34 -30.95 15.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.28 37.27 1.66 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.424 ' HB2' HD22 ' A' ' 71' ' ' LEU . 23.2 m-85 -132.7 164.57 26.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 0.793 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.598 ' HB3' HG21 ' A' ' 50' ' ' VAL . 2.7 m-85 -104.96 127.4 52.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -69.99 60.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.682 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -63.99 143.14 47.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TYR . 34.8 tt0 -115.94 96.85 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.78 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -41.79 148.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.4 mt -58.09 -17.81 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.45 -15.58 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.21 -3.73 31.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.534 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.4 tt0 -60.24 121.2 11.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -107.9 113.43 26.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -158.59 179.98 33.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.458 ' C ' HG23 ' A' ' 72' ' ' VAL . 69.5 mt -70.07 160.04 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.941 HG11 HD11 ' A' ' 48' ' ' LEU . 61.7 t -154.08 119.99 2.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 1.025 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -75.0 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.831 ' HA ' HG22 ' A' ' 77' ' ' VAL . 59.1 p -54.36 -20.73 7.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -72.64 -5.17 35.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.581 ' CB ' HD12 ' A' ' 42' ' ' LEU . 5.1 m-85 -129.28 19.11 5.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.831 HG22 ' HA ' ' A' ' 74' ' ' SER . 1.4 m -137.27 153.81 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -134.67 106.54 7.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.587 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.1 m-85 -47.02 92.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.789 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.1 p -79.52 167.98 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.544 ' N ' HG22 ' A' ' 80' ' ' VAL . 2.6 mm-40 -120.64 -127.01 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 84' ' ' GLU . 15.1 t0 69.42 -65.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -70.28 62.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -61.75 -37.58 84.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.1 m -91.34 54.98 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.586 1.179 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.47 -26.33 32.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.68 170.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.31 159.22 42.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.2 m -76.86 113.23 14.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.006 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -176.75 -42.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 m -120.75 167.35 12.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.961 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 166.03 92.57 0.09 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -49.62 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 t -168.52 -57.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.53 145.94 16.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.033 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.85 139.02 6.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.789 . . . . 0.0 110.025 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -169.13 168.94 9.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.947 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.38 -145.77 5.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.51 160.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 109.986 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.7 -61.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.959 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.87 179.67 1.27 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -69.94 -14.06 62.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 m 179.0 120.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.023 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -106.14 -62.28 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -132.35 -178.77 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.2 mmt-85 -121.44 39.49 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 19.7 p90 -175.52 58.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.7 t -165.16 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.022 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.07 168.6 0.67 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.01 153.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 49' ' ' TYR . 4.6 p -122.96 147.59 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.436 ' HB2' HG13 ' A' ' 50' ' ' VAL . 67.4 m-70 -115.33 137.21 52.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.568 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 tp -95.24 109.24 21.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.563 ' SG ' ' CE1' ' A' ' 79' ' ' PHE . 33.8 m -109.27 161.46 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.329 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.678 HG23 ' CD1' ' A' ' 47' ' ' TYR . 5.3 p -126.01 108.3 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -36.12 123.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 20.5 ttt180 -83.82 -31.05 26.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.439 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 26.9 m-85 -146.63 128.52 15.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.3 p -49.22 119.46 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -130.04 142.69 50.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.42 116.75 11.1 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.42 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.4 Cg_endo -74.96 -31.36 6.34 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 45.5 m-85 -84.65 29.51 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -111.82 -27.12 8.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.62 -178.99 28.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.98 -0.13 9.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.8 m-20 -37.47 121.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.15 -6.18 55.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.564 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 6.5 t-20 -137.52 60.3 25.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.592 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.95 -35.36 3.23 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 1.5 pt-20 -60.49 -31.1 70.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.564 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -56.02 -48.33 76.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -80.5 -175.22 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.599 HD13 HD13 ' A' ' 64' ' ' LEU . 13.1 mt -132.72 142.85 46.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 95.44 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.862 HD11 ' HD2' ' A' ' 73' ' ' PRO . 11.8 mt -71.47 145.46 49.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 44' ' ' ALA . 20.4 m -130.27 103.51 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.422 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.02 117.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.17 -43.51 1.65 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' THR . 36.7 mmtt -58.55 162.55 3.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.678 ' CD1' HG23 ' A' ' 21' ' ' VAL . 6.3 m-85 -122.59 156.22 34.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.797 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -145.16 163.95 32.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' GLU . 42.4 m-85 -116.08 107.69 15.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.607 HG21 ' CD1' ' A' ' 60' ' ' TYR . 1.5 p -97.18 112.33 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -78.85 140.03 38.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.75 178.5 7.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -81.44 -173.03 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.805 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -40.86 156.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.24 -175.17 5.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -61.6 -34.31 75.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.02 -28.17 20.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.3 -8.19 7.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -73.68 163.68 27.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.607 ' CD1' HG21 ' A' ' 50' ' ' VAL . 5.2 m-85 -108.81 131.1 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -76.15 52.85 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.695 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -55.56 142.31 37.28 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' TYR . 41.5 tt0 -115.43 99.03 7.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.77 . . . . 0.0 110.277 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.599 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -40.16 153.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.8 -14.81 55.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -86.71 -19.77 28.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.84 -8.78 14.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.527 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -55.63 123.4 13.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -112.29 123.53 50.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -168.41 -174.8 37.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 72' ' ' VAL . 84.5 mt -73.89 162.43 29.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.839 ' CG1' HG11 ' A' ' 77' ' ' VAL . 69.7 t -157.31 124.47 2.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.862 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -74.99 130.82 13.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.443 1.76 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.764 ' HA ' HG22 ' A' ' 77' ' ' VAL . 60.6 p -69.51 -7.37 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.37 0.84 57.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -132.3 13.74 4.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.839 HG11 ' CG1' ' A' ' 72' ' ' VAL . 4.4 m -135.27 138.12 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.513 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -116.62 107.36 14.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.563 ' CE1' ' SG ' ' A' ' 20' ' ' CYS . 2.3 m-85 -50.61 110.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.607 HG12 ' H ' ' A' ' 81' ' ' GLN . 2.2 t -71.36 -142.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.607 ' H ' HG12 ' A' ' 80' ' ' VAL . 3.1 pt20 -137.06 -110.55 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 110.262 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 81' ' ' GLN . 0.3 OUTLIER 76.95 -57.65 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.404 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 10.5 p-10 -175.14 93.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.74 -64.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.9 t -178.18 137.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -51.43 38.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.3 mt -112.64 153.78 27.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -173.8 172.76 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.06 137.26 32.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.6 t -169.11 147.2 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.7 p -47.64 129.35 13.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.026 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -73.01 -88.74 0.16 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.536 1.148 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 160.6 40.0 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.21 164.4 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.8 p -178.37 121.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.22 100.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.97 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -139.93 -58.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.84 -163.26 28.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.54 108.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.986 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 p -125.24 151.92 45.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.45 -60.32 0.95 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.2 p -79.17 97.98 6.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 110.419 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -40.94 111.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -40.45 -67.1 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -133.89 140.61 46.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.94 60.46 5.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 179.27 -36.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.64 24.13 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.71 165.19 49.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -49.12 170.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.787 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.459 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 1.7 t -101.54 155.86 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 17' ' ' VAL . 18.0 m-70 -151.52 113.09 4.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.6 ' CD2' HG13 ' A' ' 80' ' ' VAL . 6.1 tp -79.09 117.66 20.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.608 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 51.7 m -121.03 148.43 44.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 45' ' ' GLY . 4.5 p -118.18 118.87 59.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.37 129.96 13.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.427 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 41.0 ttt180 -88.94 -28.72 20.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.427 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 26.9 m-85 -148.96 129.56 14.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.76 121.71 6.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -133.55 144.71 49.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.99 118.44 11.12 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -30.57 6.99 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.445 1.761 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 4.0 m-85 -87.71 34.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -113.08 -26.99 8.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.68 -179.18 30.82 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.99 0.67 8.62 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.7 m-20 -36.6 151.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.44 -6.86 16.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.565 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 6.1 t-20 -136.91 59.93 26.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.619 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -75.0 -33.48 4.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.1 pt-20 -62.09 -28.55 69.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.565 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -58.51 -46.64 86.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' O ' HD23 ' A' ' 40' ' ' LEU . 46.8 mt-10 -82.93 -172.19 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.63 HD13 HD13 ' A' ' 64' ' ' LEU . 13.6 mt -135.08 143.4 45.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.53 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.959 HD11 ' HD2' ' A' ' 73' ' ' PRO . 8.4 mt -65.21 149.43 49.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.504 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.6 m -140.3 103.46 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.504 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -32.46 114.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.353 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 107.07 -44.08 1.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' THR . 8.9 mttt -56.33 148.25 19.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.554 ' HD1' HG11 ' A' ' 80' ' ' VAL . 50.2 m-85 -105.8 170.78 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.656 HD11 HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -165.08 158.13 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 63' ' ' GLU . 59.1 m-85 -115.19 122.13 45.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.614 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.5 t -96.5 113.28 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.425 ' CE1' HG22 ' A' ' 17' ' ' VAL . 36.7 m-85 -87.0 87.51 7.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.3 -176.83 16.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 8.7 t0 -83.91 -170.25 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.797 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.493 ' HE2' ' HB3' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -60.92 157.73 14.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.78 173.11 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -56.11 -27.86 55.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.86 -19.09 25.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.8 25.91 7.82 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -102.67 160.03 14.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.614 ' CD1' HG11 ' A' ' 50' ' ' VAL . 4.0 m-85 -109.96 132.2 54.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.414 ' N ' HG13 ' A' ' 50' ' ' VAL . 61.2 mt-10 -79.4 61.0 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.84 144.27 48.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 49' ' ' TYR . 21.4 tt0 -115.19 89.55 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.757 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.63 HD13 HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -39.97 145.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.615 ' H ' HD12 ' A' ' 65' ' ' LEU . 5.5 mp -57.3 -17.88 14.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -82.92 -6.57 59.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.42 6.29 57.59 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.482 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -70.81 121.95 18.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -111.57 115.22 28.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -161.04 -178.76 35.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.439 ' C ' HG23 ' A' ' 72' ' ' VAL . 83.7 mt -73.4 158.98 33.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.876 ' CG1' HG11 ' A' ' 77' ' ' VAL . 97.4 t -154.42 125.21 3.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.959 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.5 Cg_endo -74.98 132.02 14.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.823 ' HA ' HG22 ' A' ' 77' ' ' VAL . 78.2 p -71.5 -4.37 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -91.77 -1.69 57.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.492 ' CB ' HD12 ' A' ' 42' ' ' LEU . 7.6 m-85 -130.37 9.16 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.876 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.6 m -129.21 156.65 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.478 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -136.31 108.71 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.359 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.608 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.6 m-85 -50.97 88.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.6 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.5 p -70.15 165.97 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.498 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 32.4 mt-30 -137.21 135.19 37.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.78 -77.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.88 95.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.66 13.79 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 t -62.13 -151.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -35.82 75.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.609 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -91.87 170.92 9.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 87' ' ' LEU . . . 168.63 -177.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -114.48 95.47 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 t -159.08 145.12 16.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.6 m -54.08 134.85 43.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.33 -86.27 1.81 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 131.71 14.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.0 p -60.71 156.29 17.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.1 t -170.13 105.11 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 73.01 -68.08 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 52.7 91.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.68 102.15 0.16 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.35 94.23 2.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.769 . . . . 0.0 110.002 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 m -50.54 158.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.04 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.74 -76.99 0.22 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.5 p -74.4 101.18 4.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 0.761 . . . . 0.0 110.446 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 p -63.47 124.51 21.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.955 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -95.56 -62.17 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -115.19 -174.45 2.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -126.05 18.4 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -163.79 35.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.8 20.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.035 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.67 -166.86 33.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 158.2 35.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.534 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.9 t -105.67 161.47 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 8.8 m-70 -147.41 113.32 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.58 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.592 ' CD2' HG13 ' A' ' 80' ' ' VAL . 6.2 tp -76.86 119.3 20.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.581 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 62.5 m -122.76 148.91 44.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.347 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 78' ' ' ASP . 3.8 p -118.08 120.36 64.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.494 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -51.34 137.12 23.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.522 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 25.6 ttt180 -93.34 -31.84 14.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.522 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 30.6 m-85 -148.25 130.57 15.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.42 123.72 4.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.482 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 10.7 t80 -117.82 153.06 34.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.439 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -147.43 97.65 4.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -19.02 18.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.55 1.816 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 1.8 m-85 -97.39 30.47 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -108.56 -30.03 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.07 -177.57 33.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.03 0.83 8.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.807 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.8 m-20 -37.06 117.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -77.12 -2.4 34.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.48 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -137.19 60.74 29.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.632 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.99 -41.46 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -60.88 -24.17 65.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -58.71 -48.86 79.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.466 ' O ' HD23 ' A' ' 40' ' ' LEU . 33.8 mt-10 -83.99 -174.81 5.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.678 HD13 HD13 ' A' ' 64' ' ' LEU . 10.8 mt -131.78 136.17 27.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 91.82 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.852 HD21 HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -60.67 177.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.65 ' O ' ' C ' ' A' ' 44' ' ' ALA . 6.1 m -160.79 89.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.65 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -17.81 115.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.453 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 103.29 -42.02 1.99 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 6.6 mttm -51.96 159.34 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.764 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.553 ' HD1' HG11 ' A' ' 80' ' ' VAL . 54.6 m-85 -123.59 148.67 46.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.763 HD11 HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -144.42 165.78 26.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' GLU . 60.6 m-85 -118.82 122.18 41.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.612 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.1 t -98.38 113.57 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 25.5 m-85 -89.49 98.49 11.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.22 -169.47 13.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -95.55 -172.5 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.434 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -50.09 158.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.4 172.3 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.43 -27.17 62.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -89.55 -17.85 27.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.74 27.87 8.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -110.32 168.2 9.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.612 ' CD1' HG11 ' A' ' 50' ' ' VAL . 3.2 m-85 -111.14 125.73 54.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -76.02 62.9 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.61 150.07 42.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 49' ' ' TYR . 29.8 tt0 -118.02 92.36 3.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.678 HD13 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -39.77 148.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.7 mt -55.88 -24.1 35.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -77.25 -22.82 51.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.51 1.81 21.46 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.576 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.5 tt0 -63.36 124.23 20.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -109.85 111.29 22.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -154.82 176.87 32.4 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 72' ' ' VAL . 74.6 mt -70.3 162.22 28.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.79 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.888 ' CG1' HG11 ' A' ' 77' ' ' VAL . 76.0 t -157.39 126.93 3.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.629 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.4 Cg_endo -74.96 131.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.461 1.769 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.827 ' HA ' HG22 ' A' ' 77' ' ' VAL . 59.5 p -71.78 -4.16 26.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 4.7 t30 -91.77 -9.77 42.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -119.88 5.75 10.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.888 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.0 m -125.98 157.43 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.507 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -138.47 106.99 5.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.581 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.9 m-85 -48.88 91.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.592 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.7 p -74.27 166.44 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.504 ' N ' HG22 ' A' ' 80' ' ' VAL . 29.8 mt-30 -138.15 134.2 34.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.6 -53.47 4.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -161.17 91.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.99 -59.23 2.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.6 t 63.1 114.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -30.22 68.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.5 147.17 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 65.79 173.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.6 m -39.75 130.43 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -160.06 145.7 15.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 t -153.47 132.22 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.0 -169.02 13.35 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 145.39 31.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 110.952 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.9 t -173.3 164.72 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.03 85.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.142 . . . . 0.0 111.012 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.62 157.16 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 0.728 . . . . 0.0 110.022 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 t -138.17 159.02 43.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.968 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.85 -164.33 9.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.958 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -153.2 151.86 30.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 0.742 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.2 p -160.31 167.64 27.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.458 ' O ' HG22 ' A' ' 8' ' ' THR . . . -132.76 151.95 20.14 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER 69.03 156.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 0.793 . . . . 0.0 110.37 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 m -111.64 99.52 8.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -64.78 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -133.27 139.76 47.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -90.22 37.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 40.0 p90 -176.78 52.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.5 t -128.57 -42.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.24 150.2 19.47 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.91 158.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.468 HG21 ' HB3' ' A' ' 49' ' ' TYR . 5.6 p -114.91 153.91 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.455 ' O ' HG12 ' A' ' 50' ' ' VAL . 77.4 m-70 -126.05 131.06 52.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.63 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.696 ' CD2' HG13 ' A' ' 80' ' ' VAL . 1.1 tp -88.79 119.27 29.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.557 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 35.4 m -118.96 156.77 28.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 108.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.579 HG23 ' CD1' ' A' ' 47' ' ' TYR . 3.9 p -116.2 112.77 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -34.99 117.93 0.41 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -74.12 -50.72 18.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.56 ' CE1' ' HD2' ' A' ' 23' ' ' ARG . 56.2 m-85 -137.05 127.56 26.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 p -41.13 116.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.97 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -128.29 145.31 51.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.55 116.62 5.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.432 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.0 -29.15 8.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 42.2 m-85 -85.14 30.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.47 -25.22 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.58 177.35 23.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.481 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.02 1.56 7.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.481 ' C ' ' O ' ' A' ' 32' ' ' PRO . 3.0 m-20 -33.92 148.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' C ' ' HD3' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -100.0 -10.38 21.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.559 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 6.4 t-20 -136.43 59.48 26.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.605 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -74.98 -33.59 4.49 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 3.4 pt-20 -61.94 -29.95 70.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.559 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -55.27 -48.32 74.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' O ' HD23 ' A' ' 40' ' ' LEU . 75.6 mt-10 -82.16 -177.25 6.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.661 HD11 ' O ' ' A' ' 68' ' ' GLN . 11.7 mt -130.27 141.75 43.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 92.87 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.675 HD11 ' HD2' ' A' ' 73' ' ' PRO . 14.8 mt -70.49 147.74 49.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.518 ' O ' ' C ' ' A' ' 44' ' ' ALA . 18.8 m -131.4 102.54 6.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.518 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -31.37 115.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.411 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.29 -42.97 1.78 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.06 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' THR . 32.1 mmtt -60.33 160.7 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.61 ' HD1' HG11 ' A' ' 80' ' ' VAL . 30.0 m-85 -117.07 173.11 6.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.626 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -165.92 155.13 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.468 ' HB3' HG21 ' A' ' 17' ' ' VAL . 34.8 m-85 -107.27 108.86 20.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.3 p -96.25 106.06 17.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.405 ' N ' HG23 ' A' ' 17' ' ' VAL . 81.4 m-85 -72.12 140.6 48.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.29 -146.53 47.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -121.64 -177.15 3.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.408 ' HG2' ' N ' ' A' ' 59' ' ' PHE . 6.1 ttm -48.96 157.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.71 172.9 8.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.37 -13.94 23.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.73 -31.56 17.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.26 41.42 1.65 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.408 ' N ' ' HG2' ' A' ' 54' ' ' MET . 17.6 m-85 -135.08 164.41 27.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 110.982 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' HB3' HG21 ' A' ' 50' ' ' VAL . 8.1 m-85 -104.94 137.91 41.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -81.66 47.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.522 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -47.65 143.79 6.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' TYR . 24.6 tt0 -118.38 93.21 4.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.59 HD13 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -38.83 145.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.9 mt -54.69 -22.07 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -77.24 -24.4 51.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.96 -0.03 17.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.661 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.6 tt0 -65.06 122.44 17.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -109.78 117.55 34.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.441 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -160.54 179.86 35.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.598 ' O ' HG23 ' A' ' 72' ' ' VAL . 69.5 mt -69.71 162.89 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.665 HG13 HD11 ' A' ' 42' ' ' LEU . 53.4 t -158.76 122.64 2.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.675 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.2 Cg_endo -74.95 129.9 12.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.598 ' HA ' HG22 ' A' ' 77' ' ' VAL . 80.2 p -66.62 -11.01 51.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.412 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 1.6 m-20 -87.12 -0.34 56.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.462 ' C ' HG13 ' A' ' 77' ' ' VAL . 5.1 m-85 -131.93 30.14 4.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.607 HG11 ' CG1' ' A' ' 72' ' ' VAL . 17.2 m -154.86 155.23 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -134.27 107.34 7.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.248 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.557 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.7 m-85 -46.67 91.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.696 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.3 p -73.96 167.56 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.534 ' N ' HG22 ' A' ' 80' ' ' VAL . 61.7 mt-30 -142.75 134.34 26.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.16 -50.35 72.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -154.86 88.32 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.84 -66.69 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.36 109.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -62.58 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.07 176.89 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 65.89 61.54 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.5 152.66 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.6 t -172.35 153.44 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.417 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.28 140.61 21.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.95 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -89.23 136.05 13.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -53.25 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.95 81.87 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.77 89.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.48 166.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -85.59 171.94 11.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.1 -108.79 0.03 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -179.94 154.74 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.015 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 p -177.0 161.58 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.967 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.08 137.46 4.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.1 t -110.92 -14.67 13.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 110.419 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m 170.1 118.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -106.93 -61.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -133.5 143.9 49.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -90.69 24.35 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.15 30.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.81 25.12 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.52 -167.11 28.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -61.52 164.24 6.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 18' ' ' HIS . 1.4 t -104.85 161.2 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.451 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 23.8 m-70 -150.66 100.15 2.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.723 ' CD2' HG13 ' A' ' 80' ' ' VAL . 4.1 tp -71.84 119.24 15.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.561 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 75.2 m -124.23 156.5 36.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 45' ' ' GLY . 4.0 p -124.4 118.6 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -48.32 131.48 16.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 6.4 ttt180 -87.95 -28.46 21.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 31.5 m-85 -150.82 131.23 13.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.65 118.91 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -129.15 142.03 51.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.22 117.1 11.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.416 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.03 -29.58 8.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.587 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 49.4 m-85 -85.74 29.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 9.0 t0 -111.94 -27.67 8.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.44 176.72 31.6 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 0.77 8.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.6 m-20 -36.14 151.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.41 -7.8 18.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.534 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 5.8 t-20 -136.86 60.2 28.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.587 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.97 -33.67 4.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.773 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -61.66 -31.05 71.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.534 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -56.64 -48.0 78.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -80.36 -173.46 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 62' ' ' GLY . 12.6 mt -135.06 143.28 45.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 93.6 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.972 HD11 ' HD2' ' A' ' 73' ' ' PRO . 10.0 mt -66.52 152.84 44.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.487 ' O ' ' C ' ' A' ' 44' ' ' ALA . 53.1 m -140.49 103.02 4.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.27 114.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 107.6 -44.87 1.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' CG ' ' HB ' ' A' ' 43' ' ' THR . 23.3 mttt -51.95 159.8 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.784 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.609 ' HD2' HG11 ' A' ' 80' ' ' VAL . 40.1 m-85 -124.62 146.78 48.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.606 HD11 HG11 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -135.72 -171.88 2.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -142.23 116.92 9.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.6 HG11 ' CD1' ' A' ' 60' ' ' TYR . 3.7 t -90.1 127.0 42.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -100.85 86.16 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 18' ' ' HIS . . . 126.71 -152.33 18.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -116.03 -155.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.402 ' O ' ' HG2' ' A' ' 54' ' ' MET . 15.5 ttp -108.27 108.51 19.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.6 19.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 1.8 pt-20 -111.44 40.72 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 3.4 t70 87.49 4.18 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.77 32.3 3.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -118.63 163.7 16.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 111.061 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.6 ' CD1' HG11 ' A' ' 50' ' ' VAL . 5.5 m-85 -121.57 124.97 45.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 50' ' ' VAL . 54.4 mt-10 -67.97 63.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.625 ' O ' HD12 ' A' ' 40' ' ' LEU . . . -71.46 137.27 25.85 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.478 ' OE1' ' CG ' ' A' ' 69' ' ' ARG . 12.2 tt0 -109.23 95.9 5.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.573 HD13 HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -40.02 153.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.4 HD21 ' O ' ' A' ' 47' ' ' TYR . 25.6 mt -62.17 -14.86 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.42 -11.98 50.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.02 -2.79 40.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.588 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.4 tt0 -60.07 120.94 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.478 ' CG ' ' OE1' ' A' ' 63' ' ' GLU . 6.4 mtt180 -108.82 119.12 38.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.239 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -165.9 -175.18 36.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.513 HD22 ' CD ' ' A' ' 56' ' ' GLU . 84.1 mt -77.77 161.68 27.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.81 ' CG1' HG11 ' A' ' 77' ' ' VAL . 96.5 t -153.75 126.93 4.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.972 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -74.97 129.68 12.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.834 ' HA ' HG22 ' A' ' 77' ' ' VAL . 41.7 t -70.38 -5.44 28.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -91.21 -0.38 57.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.421 ' CB ' HD12 ' A' ' 42' ' ' LEU . 6.6 m-85 -131.34 9.35 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.834 HG22 ' HA ' ' A' ' 74' ' ' SER . 3.4 m -128.47 156.07 40.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -137.27 106.79 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 48.0 m-85 -49.52 89.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.723 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.5 p -73.21 170.26 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.581 ' N ' HG22 ' A' ' 80' ' ' VAL . 14.4 pt20 -113.73 125.34 54.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -53.3 42.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 50.81 98.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.21 -53.09 2.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.237 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.5 t -176.54 136.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -59.57 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -95.51 133.2 39.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -164.31 177.67 8.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.83 168.43 19.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.6 t -158.01 143.62 17.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.7 p -132.8 159.25 40.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.22 81.91 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -65.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.532 1.806 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.8 t -174.26 -52.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.053 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.8 t 178.98 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.983 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.17 84.16 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -162.49 143.99 10.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.3 116.66 0.76 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 p -174.91 118.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 p -152.06 91.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.3 81.73 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -59.88 -16.1 26.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.396 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.6 m -76.31 126.29 30.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -76.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' ARG . 64.3 mt-30 -109.59 120.43 42.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' GLN . 1.4 mmm180 36.59 -151.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -73.79 55.93 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.0 t -88.33 -25.56 22.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' LYS . . . -64.33 134.49 39.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -40.07 156.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.458 HG22 ' CE1' ' A' ' 51' ' ' TYR . 2.0 t -102.0 159.13 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 33.8 m-70 -147.41 98.8 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.501 HD11 ' HB3' ' A' ' 47' ' ' TYR . 29.9 tp -72.0 107.7 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 59.9 m -114.06 151.12 32.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.334 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.586 ' HB ' HG22 ' A' ' 80' ' ' VAL . 3.3 p -119.69 112.56 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -40.92 129.38 2.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 14.1 ttt180 -87.95 -29.95 20.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 32.4 m-85 -149.41 130.05 14.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.81 114.9 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -125.04 142.43 51.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.46 117.16 12.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -29.93 7.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.624 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.3 m-85 -87.12 32.42 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -111.6 -22.64 11.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.36 -175.08 22.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.94 0.05 9.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -38.8 118.79 0.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -78.96 -5.9 54.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.509 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 4.2 t-20 -137.3 60.33 26.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.624 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.99 -32.94 4.97 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.517 1.798 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.7 pt-20 -62.29 -27.91 69.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -57.34 -49.12 77.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' O ' HD23 ' A' ' 40' ' ' LEU . 45.6 mt-10 -81.4 -172.48 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.585 HD13 HD13 ' A' ' 64' ' ' LEU . 12.5 mt -134.02 142.13 42.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.58 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.028 HD11 ' HD2' ' A' ' 73' ' ' PRO . 10.3 mt -65.11 154.55 37.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.473 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.4 m -142.37 103.63 4.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.092 . . . . 0.0 110.439 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -35.17 115.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.473 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 107.45 -45.52 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 51.8 mmtt -54.47 160.85 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.556 ' CD1' HG23 ' A' ' 21' ' ' VAL . 29.3 m-85 -119.32 156.23 30.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.834 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -148.06 159.93 43.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' GLU . 51.7 m-85 -117.99 117.77 30.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.587 HG11 ' CD1' ' A' ' 60' ' ' TYR . 3.1 t -95.31 117.38 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.458 ' CE1' HG22 ' A' ' 17' ' ' VAL . 37.9 m-85 -90.94 91.2 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.44 ' O ' ' CD2' ' A' ' 18' ' ' HIS . . . 116.62 -164.57 12.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 111.049 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -100.9 -174.29 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.442 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -48.44 156.18 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -90.97 172.97 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -56.37 -30.03 62.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.77 -20.03 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.81 33.93 4.23 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -114.05 162.97 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 0.801 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.587 ' CD1' HG11 ' A' ' 50' ' ' VAL . 5.3 m-85 -109.61 130.37 55.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.421 ' N ' HG13 ' A' ' 50' ' ' VAL . 87.3 mt-10 -78.43 56.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.35 144.25 45.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.4 OUTLIER -112.75 92.78 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.759 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.585 HD13 HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -39.94 146.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 41.7 mt -55.89 -19.25 11.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -18.76 41.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.84 -3.2 25.87 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.46 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.6 tt0 -60.19 125.74 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -116.09 111.58 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.443 ' CA ' ' HG ' ' A' ' 40' ' ' LEU . . . -156.55 179.4 32.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.135 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' ALA . 55.9 mt -71.9 146.0 48.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 48' ' ' LEU . 75.7 t -139.08 126.17 12.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 1.028 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.2 Cg_endo -74.96 128.21 11.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.725 ' HA ' HG22 ' A' ' 77' ' ' VAL . 75.4 p -68.69 -7.42 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -90.69 0.87 57.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.585 ' CB ' HD12 ' A' ' 42' ' ' LEU . 6.3 m-85 -131.97 15.23 4.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.802 HG11 ' CG1' ' A' ' 72' ' ' VAL . 4.2 m -138.11 152.66 26.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.427 ' HB3' HG12 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -129.09 107.3 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.592 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.2 m-85 -49.1 104.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.753 HG12 ' H ' ' A' ' 81' ' ' GLN . 3.9 t -64.89 -179.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.753 ' H ' HG12 ' A' ' 80' ' ' VAL . 54.0 mt-30 -128.87 -118.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' ASN . 3.3 t70 69.35 -65.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 85' ' ' SER . 10.0 p30 -40.64 -40.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.77 -59.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.632 ' OG ' HD23 ' A' ' 87' ' ' LEU . 82.6 p -154.54 142.14 19.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.522 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.07 4.54 53.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.632 HD23 ' OG ' ' A' ' 85' ' ' SER . 0.0 OUTLIER 31.32 91.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -174.25 57.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 t -172.64 160.95 4.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.5 t -141.51 132.99 26.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.8 p -162.02 172.42 15.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.1 -173.37 6.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 179.45 6.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.56 145.06 12.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.4 t -105.65 157.85 17.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.14 82.25 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.34 -58.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.019 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.15 -134.22 13.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.33 154.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 110.013 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t 74.33 -57.97 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.08 -100.79 2.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -171.68 151.73 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.403 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.25 145.21 8.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.066 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -106.39 -64.48 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -131.4 -177.15 4.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.85 15.02 25.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.474 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 23.1 p90 -160.08 55.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 t -165.02 -48.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.55 126.73 32.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 155.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.681 ' CG1' ' CE2' ' A' ' 51' ' ' TYR . 27.6 m -84.89 163.82 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.536 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 79.3 m-70 -133.03 80.34 1.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.497 ' CD2' ' HB3' ' A' ' 82' ' ' ASP . 9.4 tp -38.59 123.4 1.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.618 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 91.3 m -125.34 179.7 4.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.638 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.5 p -142.35 104.76 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -38.26 127.06 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.521 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 40.9 ttt180 -85.27 -27.09 26.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.521 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 27.7 m-85 -152.44 129.92 11.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.83 116.46 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.434 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 25.6 t80 -126.44 141.26 51.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.06 117.1 11.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.14 9.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.633 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 2.8 m-85 -87.35 32.02 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.66 -21.04 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.04 -176.09 22.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.01 -0.5 10.05 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.504 1.791 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -38.85 119.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -79.31 -4.9 53.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.503 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 5.7 t-20 -137.57 60.25 24.7 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.633 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.97 -32.05 5.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.7 pt-20 -63.67 -26.4 68.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -57.74 -48.14 80.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 40' ' ' LEU . 40.4 mt-10 -84.41 -176.78 6.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.732 HD13 HD13 ' A' ' 64' ' ' LEU . 9.2 mt -129.38 141.98 43.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 18.4 Cg_endo -74.97 92.81 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.832 HD11 ' HD2' ' A' ' 73' ' ' PRO . 12.6 mt -67.48 146.07 54.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 44' ' ' ALA . 20.6 m -132.52 105.39 7.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -32.27 117.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.538 ' O ' HG23 ' A' ' 21' ' ' VAL . . . 102.93 -46.8 1.17 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.421 1.076 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' THR . 51.7 mmtt -55.66 155.36 5.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.439 ' CD1' HG23 ' A' ' 21' ' ' VAL . 11.3 m-85 -115.13 172.52 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.661 HD11 HG11 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -162.73 160.03 24.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 63' ' ' GLU . 39.6 m-85 -110.71 111.36 22.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.63 HG21 ' CG ' ' A' ' 60' ' ' TYR . 1.2 p -103.66 112.65 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.681 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 91.4 m-85 -78.21 134.55 37.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.13 172.48 10.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.36 -162.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.2 ptp -58.85 152.15 19.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.55 -161.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.365 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.2 -27.98 47.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.54 -23.51 24.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.3 11.52 29.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -96.84 160.27 14.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.63 ' CG ' HG21 ' A' ' 50' ' ' VAL . 4.1 m-85 -108.13 136.74 47.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -80.89 51.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.257 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.9 148.29 23.8 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.6 tt0 -122.52 95.42 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.732 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -38.13 147.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.5 mt -57.22 -21.26 32.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.16 -20.07 61.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.56 5.96 27.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.508 ' NE2' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -62.99 170.04 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -150.86 109.49 3.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -158.83 179.41 34.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 72' ' ' VAL . 88.3 mt -71.66 163.18 28.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.862 ' CG1' HG11 ' A' ' 77' ' ' VAL . 75.1 t -157.62 124.43 2.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.832 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -74.96 133.38 16.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.813 ' HA ' HG22 ' A' ' 77' ' ' VAL . 28.9 t -71.67 -4.12 25.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 4.6 t30 -92.11 -8.02 46.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.47 ' HB3' HD12 ' A' ' 42' ' ' LEU . 11.0 m-85 -122.94 12.85 9.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.862 HG11 ' CG1' ' A' ' 72' ' ' VAL . 5.1 m -134.5 144.59 34.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.564 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -127.46 106.99 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.618 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.2 m-85 -47.56 123.83 6.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.654 HG12 ' H ' ' A' ' 81' ' ' GLN . 1.5 t -77.83 -155.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.654 ' H ' HG12 ' A' ' 80' ' ' VAL . 14.8 pt20 -130.25 -35.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.497 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 12.4 t70 -40.7 -28.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.478 ' ND2' ' CB ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -80.57 53.94 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.79 -58.91 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 83' ' ' ASN . 19.4 m -39.17 129.73 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.548 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -135.45 -45.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.548 ' N ' ' CD ' ' A' ' 86' ' ' ARG . 0.2 OUTLIER 38.02 -155.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.44 146.61 29.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.17 127.7 2.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 t -109.13 -32.68 7.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 110.429 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.24 116.75 5.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 168.73 98.15 0.12 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.76 39.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.59 141.35 55.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m -133.3 151.06 51.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m 67.42 101.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 109.959 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -140.32 -58.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.8 -175.87 42.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.135 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 p -96.63 172.04 8.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 p -140.19 151.95 45.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.85 66.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.5 t -174.01 -38.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 110.383 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m 77.71 100.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -101.2 -60.36 1.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.519 ' OE1' ' CZ ' ' A' ' 13' ' ' TYR . 44.8 mt-30 -133.8 171.18 14.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.1 mmt-85 -116.03 32.88 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 27.7 p90 -170.49 56.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.0 t -178.56 -39.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.98 143.18 3.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.11 155.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.282 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.556 HG12 ' CG ' ' A' ' 51' ' ' TYR . 24.1 m -87.81 165.41 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.501 ' HB2' HG13 ' A' ' 50' ' ' VAL . 91.4 m-70 -133.8 85.06 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 81' ' ' GLN . 8.6 tp -40.52 114.41 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.553 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 69.4 m -120.65 158.8 26.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.512 1.132 . . . . 0.0 108.3 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.8 p -126.23 110.33 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.507 ' HB1' ' HB3' ' A' ' 42' ' ' LEU . . . -40.32 131.61 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.493 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 19.3 ttt180 -86.54 -25.97 24.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.493 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 32.1 m-85 -154.82 131.99 11.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.4 130.64 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.493 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 11.0 t80 -126.37 154.2 43.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 111.033 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.419 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -148.35 96.73 3.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.76 11.52 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.656 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 2.4 m-85 -91.08 26.9 2.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -110.37 -28.24 8.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.83 -176.03 35.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.135 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.96 -0.07 9.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.552 1.817 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -39.17 116.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -79.25 -3.85 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.518 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 4.1 t-20 -137.14 60.52 28.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.656 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -74.98 -37.14 2.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 3.0 pt-20 -61.71 -30.62 70.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.518 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -56.04 -43.14 77.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.475 ' O ' HD23 ' A' ' 40' ' ' LEU . 39.6 mt-10 -90.24 -177.58 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.658 HD11 ' O ' ' A' ' 68' ' ' GLN . 10.9 mt -129.26 137.16 30.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.0 94.54 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.56 HD21 HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -61.05 170.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.579 ' O ' ' C ' ' A' ' 44' ' ' ALA . 16.8 m -157.6 94.04 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.408 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.579 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -25.05 115.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.514 ' O ' HG23 ' A' ' 21' ' ' VAL . . . 105.28 -48.11 1.0 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' THR . 29.8 mmtt -50.25 162.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 20' ' ' CYS . 36.4 m-85 -125.71 158.19 35.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.597 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -153.19 167.89 27.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 63' ' ' GLU . 52.5 m-85 -118.9 115.38 24.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.67 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -105.9 112.53 39.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.556 ' CG ' HG12 ' A' ' 17' ' ' VAL . 84.0 m-85 -77.76 135.19 37.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.4 175.9 18.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -79.86 -166.79 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -44.51 154.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 111.039 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' PHE . 23.7 t0 -87.19 170.31 11.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -46.69 -39.56 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.5 -26.18 28.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.35 -14.56 8.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' ASP . 11.0 m-85 -69.26 164.6 22.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.67 ' HB3' HG21 ' A' ' 50' ' ' VAL . 4.1 m-85 -111.3 132.12 54.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -77.31 60.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.45 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -61.47 155.45 36.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' TYR . 35.1 tt0 -128.71 95.94 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.647 HD13 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -41.64 147.27 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.92 -17.62 17.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -80.88 -26.75 36.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.75 -2.74 11.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.658 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -62.76 122.46 15.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -110.79 116.31 31.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -160.5 -179.97 35.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 72' ' ' VAL . 89.5 mt -70.77 162.43 29.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.918 ' CG1' HG11 ' A' ' 77' ' ' VAL . 77.3 t -157.58 123.86 2.51 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.635 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.4 Cg_endo -75.0 134.18 17.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.814 ' HA ' HG22 ' A' ' 77' ' ' VAL . 25.5 t -73.61 -0.92 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 4.5 t30 -93.69 -9.13 38.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 29.3 m-85 -122.4 6.95 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.918 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.0 m -126.84 147.29 31.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.548 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -128.28 105.95 8.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 54.0 m-85 -48.66 103.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.619 HG13 ' HG ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -86.69 163.65 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.682 ' O ' HD23 ' A' ' 19' ' ' LEU . 7.0 pt20 -66.65 -146.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 1.4 t0 179.81 -51.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 179.56 113.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.41 -53.02 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.7 m -69.09 99.9 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.21 -55.71 0.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mt -105.66 173.65 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.22 174.74 13.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.5 t -51.32 116.85 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.948 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.8 t -76.23 -40.49 51.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 54.13 103.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.06 156.54 20.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.01 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.1 t 63.49 139.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.0 m -101.43 -59.69 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.26 158.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.754 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -177.93 148.77 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.6 -158.42 27.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.546 1.153 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.3 m -43.48 146.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.98 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 m -91.25 -58.43 2.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.98 -160.93 44.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.5 t -157.14 137.79 13.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 m 47.93 83.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -63.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -131.76 -175.49 3.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.36 23.39 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 21.1 p90 -169.56 52.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.9 t -160.84 -44.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.12 145.72 29.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.76 161.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.679 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 2.5 t -105.09 161.83 4.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.468 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 12.0 m-70 -152.51 101.25 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.617 ' CD2' HG13 ' A' ' 80' ' ' VAL . 5.5 tp -65.35 118.05 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' A' ' 79' ' ' PHE . 53.2 m -118.93 152.59 36.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.262 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 46' ' ' LYS . 4.2 p -120.61 125.03 73.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.92 126.83 19.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 40.0 ttt180 -85.63 -27.41 25.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 30.7 m-85 -153.71 128.94 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.09 127.26 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -140.58 140.61 35.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.34 116.8 12.14 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.39 6.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.611 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 4.2 m-85 -86.34 31.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.05 -16.53 12.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.2 -174.92 19.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.97 -1.21 10.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -39.43 118.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.86 -5.06 52.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.549 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 5.2 t-20 -137.52 60.33 25.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.611 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.99 -33.24 4.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.772 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.4 pt-20 -62.25 -28.49 69.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.549 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -58.15 -45.63 87.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' O ' HD23 ' A' ' 40' ' ' LEU . 50.2 mt-10 -83.54 -171.1 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.346 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.914 HD13 HD13 ' A' ' 64' ' ' LEU . 11.7 mt -135.63 141.5 37.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 91.84 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.768 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.782 HD21 HG13 ' A' ' 72' ' ' VAL . 14.0 mt -66.24 153.16 43.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.616 ' O ' ' C ' ' A' ' 44' ' ' ALA . 6.7 m -143.22 94.7 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.616 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -22.13 113.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.95 -42.76 1.84 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.8 mttm -49.88 169.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.494 ' HD1' HG11 ' A' ' 80' ' ' VAL . 63.2 m-85 -130.05 163.54 26.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.474 HD23 ' C ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -162.81 160.25 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.467 ' O ' ' N ' ' A' ' 63' ' ' GLU . 50.8 m-85 -114.9 122.4 46.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 60' ' ' TYR . 1.7 t -97.55 108.06 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.679 ' CE1' ' CG2' ' A' ' 17' ' ' VAL . 75.0 m-85 -87.0 112.77 22.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.68 -107.67 2.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -176.42 -173.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 0.741 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.3 mtm -42.24 148.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -102.59 -174.54 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 7.6 mt-10 -78.17 79.75 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 2.9 m-20 161.72 -37.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.09 49.49 0.41 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -133.45 159.85 39.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.571 ' CD1' HG11 ' A' ' 50' ' ' VAL . 1.8 m-85 -107.22 138.21 43.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' N ' HG13 ' A' ' 50' ' ' VAL . 86.2 mt-10 -82.17 60.27 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.461 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -60.03 156.02 29.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -134.25 101.92 5.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 0.734 . . . . 0.0 110.343 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.914 HD13 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -44.75 148.42 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.596 ' H ' HD12 ' A' ' 65' ' ' LEU . 5.6 mp -57.32 -16.9 9.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.6 -20.84 28.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.73 -27.31 5.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.574 ' HB3' HD22 ' A' ' 64' ' ' LEU . 1.5 tt0 -54.21 115.32 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.509 ' HA ' HD11 ' A' ' 40' ' ' LEU . 3.1 ptp85 -118.41 146.19 44.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -169.58 -161.74 20.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.145 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' ALA . 52.9 mt -81.06 150.13 28.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.782 HG13 HD21 ' A' ' 42' ' ' LEU . 21.5 t -153.08 130.18 5.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.674 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -75.02 131.31 14.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.663 ' HA ' HG22 ' A' ' 77' ' ' VAL . 78.5 p -69.17 -6.28 27.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.416 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 1.1 m-20 -92.29 0.41 57.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 75' ' ' ASN . 5.7 m-85 -132.86 24.46 4.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.663 HG22 ' HA ' ' A' ' 74' ' ' SER . 9.4 m -144.67 160.31 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.5 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -142.57 107.15 4.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.556 ' CE1' ' SG ' ' A' ' 20' ' ' CYS . 3.1 m-85 -49.34 90.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.617 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.3 p -72.3 162.8 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.519 ' O ' HD23 ' A' ' 19' ' ' LEU . 4.6 pt20 -63.96 -145.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -179.04 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.4 m120 50.95 83.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.223 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.54 -31.53 9.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 m 47.62 83.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.966 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.53 -64.46 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.1 mt -94.59 169.83 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.357 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.86 179.12 4.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.9 m -91.2 170.67 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.5 t -164.56 148.86 9.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.0 p -54.91 163.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -138.98 -179.74 17.68 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 157.37 42.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.13 107.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.99 83.06 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -174.5 143.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 109.983 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -67.04 154.19 41.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.067 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.21 -144.4 6.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 m 61.45 116.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.4 m -125.59 162.67 24.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.15 -129.0 5.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 p -86.7 106.68 17.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.54 143.75 26.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.982 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.65 19.68 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -104.67 -170.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 13' ' ' TYR . 10.2 mmt180 -100.06 142.49 31.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CE1' ' OE1' ' A' ' 61' ' ' GLU . 57.4 m-85 37.38 46.34 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.64 18.19 6.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.042 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.07 149.28 27.82 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -41.41 156.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.754 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.657 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.6 t -93.25 159.71 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 26.4 m-70 -148.97 108.72 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.657 ' HG ' HG21 ' A' ' 80' ' ' VAL . 9.0 tp -71.42 125.74 27.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.593 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 85.1 m -126.23 173.06 9.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 21' ' ' VAL . 2.6 p -142.69 105.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -38.91 119.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.59 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 13.4 ttt180 -79.29 -25.71 42.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 31.7 m-85 -154.48 123.44 6.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 t -45.1 136.02 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 27' ' ' ASN . 6.0 t80 -147.57 148.62 31.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.468 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -138.68 119.06 9.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.62 5.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.448 1.762 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.626 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.9 m-85 -86.35 30.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.53 -13.43 12.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.42 -174.16 17.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.95 -0.08 9.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 m-20 -39.43 120.05 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -81.03 -6.09 58.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.495 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 1.8 t-20 -138.48 60.37 20.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.626 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.89 -32.93 5.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 3.1 pt-20 -62.29 -27.51 69.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 37' ' ' GLU . . . -60.86 -45.42 94.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 40' ' ' LEU . 48.0 mt-10 -83.69 -173.85 4.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.747 HD13 HD13 ' A' ' 64' ' ' LEU . 12.7 mt -132.88 143.38 48.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 92.24 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.873 HD11 ' HD2' ' A' ' 73' ' ' PRO . 12.8 mt -64.74 155.59 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 44' ' ' ALA . 68.5 m -144.38 105.12 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.437 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.497 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -33.18 115.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.501 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.38 -48.01 1.01 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' CG ' ' HB ' ' A' ' 43' ' ' THR . 20.2 mttt -48.39 151.56 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CD2' HG23 ' A' ' 21' ' ' VAL . 54.7 m-85 -115.48 149.03 38.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.66 HD11 HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -141.81 170.29 15.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' GLU . 50.1 m-85 -123.9 121.56 35.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.603 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.6 t -95.29 117.3 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.657 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 21.7 m-85 -95.78 103.66 15.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.82 -131.41 10.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.2 -169.25 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.786 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.35 127.72 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -76.97 169.01 19.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.3 -15.94 18.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -98.43 -16.42 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.31 44.48 3.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -134.12 176.61 8.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.603 ' CD1' HG11 ' A' ' 50' ' ' VAL . 4.8 m-85 -111.02 132.34 54.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.545 ' OE1' ' CE1' ' A' ' 13' ' ' TYR . 65.2 mt-10 -80.39 60.17 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.72 143.13 45.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.564 1.165 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' TYR . 25.5 tt0 -115.73 91.24 3.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 0.778 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.747 HD13 HD13 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -37.85 144.73 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.3 mt -51.75 -23.85 5.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -33.13 59.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 128.53 -4.8 6.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.509 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -57.4 123.04 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.284 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -110.46 110.22 20.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.96 -177.18 25.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.586 1.178 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 72' ' ' VAL . 76.5 mt -75.75 162.28 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.954 ' CG1' HG11 ' A' ' 77' ' ' VAL . 72.6 t -157.64 127.52 3.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.873 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -75.02 134.21 17.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.689 ' HA ' HG22 ' A' ' 77' ' ' VAL . 82.4 p -74.52 -2.29 25.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.416 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -96.33 1.9 52.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 8.0 m-85 -135.05 13.31 3.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.954 HG11 ' CG1' ' A' ' 72' ' ' VAL . 8.2 m -137.79 145.58 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -128.42 129.22 45.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.593 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.9 m-85 -66.6 54.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.657 HG21 ' HG ' ' A' ' 19' ' ' LEU . 2.2 t 27.93 -139.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.528 ' H ' HG12 ' A' ' 80' ' ' VAL . 3.3 pt20 -136.62 -109.24 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 110.312 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' CG ' ' A' ' 83' ' ' ASN . 15.1 t0 71.92 -59.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.4 ' CG ' ' C ' ' A' ' 82' ' ' ASP . 2.4 m120 -164.04 99.67 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.76 -52.68 5.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.7 t -153.19 139.97 19.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.505 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -90.18 4.55 50.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.505 ' C ' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER 31.35 91.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -169.85 128.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.93 158.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -166.08 135.33 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.394 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.59 132.01 52.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -127.16 -84.61 0.5 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -56.45 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.546 1.814 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' GLY . 0.7 OUTLIER 55.74 -94.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.955 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 m 68.39 -69.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.26 90.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 110.043 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.16 158.7 16.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.953 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.65 -155.0 29.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 t -150.56 156.33 41.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.975 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.9 p -49.69 162.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.83 -119.6 3.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -173.29 153.7 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 110.433 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.8 p -103.78 118.12 35.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -103.37 -65.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -131.24 -176.27 3.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.459 ' HB3' ' CD2' ' A' ' 13' ' ' TYR . 1.6 mtt85 -77.2 140.85 40.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 69' ' ' ARG . 40.8 m-85 43.63 44.3 5.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.0 t -128.01 -48.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.975 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.61 164.14 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -42.92 164.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.557 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.4 t -102.54 158.98 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 9.1 m-70 -146.89 108.0 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.621 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.622 ' CD2' HG13 ' A' ' 80' ' ' VAL . 6.3 tp -70.72 120.87 16.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.489 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 77.8 m -123.31 156.74 34.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 108.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 46' ' ' LYS . 4.2 p -128.5 117.34 44.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.03 131.74 9.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 41.9 ttt180 -89.16 -27.99 20.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 26.6 m-85 -149.18 129.15 13.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.8 123.68 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -137.13 143.6 42.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.32 118.14 13.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.33 8.34 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.618 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.1 m-85 -87.26 30.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.07 -16.27 13.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.62 -175.82 19.61 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -74.99 -0.81 10.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -39.52 118.47 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.78 -4.84 51.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.575 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 6.3 t-20 -137.59 60.38 25.29 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.618 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.1 Cg_endo -75.0 -34.04 4.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.8 pt-20 -62.03 -28.72 69.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.575 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -58.26 -47.02 84.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.0 -172.26 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.714 HD13 ' HG ' ' A' ' 64' ' ' LEU . 14.4 mt -134.47 143.54 47.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 90.95 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.983 HD11 ' HD2' ' A' ' 73' ' ' PRO . 4.2 mt -61.97 145.53 52.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.7 m -138.6 100.31 4.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -31.43 108.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.513 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 114.09 -45.0 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.9 mttt -46.19 162.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.741 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.408 ' HD1' HG11 ' A' ' 80' ' ' VAL . 80.6 m-85 -124.01 146.07 48.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.439 HD11 HG11 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -147.9 164.14 34.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.575 ' CE1' HD13 ' A' ' 19' ' ' LEU . 63.5 m-85 -122.32 124.17 43.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.622 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.1 t -96.98 116.58 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.557 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 38.9 m-85 -94.08 98.59 11.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.94 171.95 25.38 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.426 1.079 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -70.16 -157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.417 ' HG3' ' HA2' ' A' ' 58' ' ' GLY . 0.8 OUTLIER -63.03 149.53 44.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -76.7 178.17 6.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -52.99 -31.83 43.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.54 -19.25 21.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.417 ' HA2' ' HG3' ' A' ' 54' ' ' MET . . . 116.26 -19.03 13.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.433 1.083 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -58.48 165.74 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 0.745 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.622 ' CD1' HG11 ' A' ' 50' ' ' VAL . 2.2 m-85 -107.47 121.13 44.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.84 59.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.75 148.76 41.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.8 OUTLIER -115.6 111.75 21.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.714 ' HG ' HD13 ' A' ' 40' ' ' LEU . 3.9 mt -52.96 -172.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.1 mt -86.36 -38.88 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -68.56 -22.92 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.78 4.69 9.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.494 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -61.04 120.18 9.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.563 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 66.8 mtt180 -111.83 104.27 12.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.25 -173.82 13.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.476 ' C ' HG23 ' A' ' 72' ' ' VAL . 82.3 mt -80.17 159.07 26.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.805 HG12 HG11 ' A' ' 77' ' ' VAL . 47.5 t -154.72 129.45 4.91 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.983 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -75.01 133.61 16.78 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.79 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.727 ' HA ' HG22 ' A' ' 77' ' ' VAL . 86.3 p -74.62 -1.93 23.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.03 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.42 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 14.4 m-20 -97.06 1.47 50.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 6.8 m-85 -134.79 14.32 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.805 HG11 HG12 ' A' ' 72' ' ' VAL . 4.4 m -129.64 154.35 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.483 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -135.92 106.17 6.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.489 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 40.2 m-85 -50.02 89.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.622 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.4 p -70.16 166.23 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.505 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 83.5 mt-30 -137.94 135.71 36.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.1 -52.01 5.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 50.33 96.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.11 -45.79 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 m -166.54 -177.04 3.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 87' ' ' LEU . 8.6 mmt180 -107.58 10.87 29.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER 38.42 -158.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.22 176.7 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.57 174.8 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -158.86 141.82 14.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 110.426 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 t -41.96 133.22 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -147.8 173.36 27.89 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.446 1.092 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -178.14 3.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.3 t -172.02 168.44 5.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.6 m -145.25 170.05 17.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 p -174.18 135.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 0.726 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -147.33 -58.63 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.137 . . . . 0.0 109.956 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.76 -94.3 0.1 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -41.08 136.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 110.046 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -163.76 153.57 14.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.55 168.05 13.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.5 p -143.2 -171.24 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 110.436 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 10' ' ' LYS . 14.5 p -165.75 -175.77 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.972 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER 35.45 74.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 5.9 mm-40 -142.69 148.21 36.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.39 42.36 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 179.16 36.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.82 26.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.4 -145.75 5.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 159.1 31.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.7 ' CG2' ' CE2' ' A' ' 51' ' ' TYR . 4.9 t -120.85 147.63 24.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.481 ' HB2' HG13 ' A' ' 50' ' ' VAL . 39.3 m-70 -125.89 76.77 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.641 ' CD2' HG13 ' A' ' 80' ' ' VAL . 1.7 tp -44.26 120.64 2.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.548 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 6.5 m -117.49 166.91 11.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 108.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.669 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.5 p -133.66 101.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -39.27 127.88 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -90.39 -32.75 16.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.417 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 28.5 m-85 -138.2 130.09 28.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.14 105.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 53.2 t80 -105.69 138.27 42.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -137.02 108.78 8.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.431 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.01 -33.04 4.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 34.2 m-85 -84.27 27.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -111.86 -29.27 7.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.84 177.88 33.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.0 0.99 8.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 m-20 -34.96 148.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' C ' ' HD3' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -101.21 -11.58 19.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.616 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 5.6 t-20 -135.09 60.26 38.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -75.02 -34.85 3.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -61.51 -27.33 68.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.616 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -62.03 -47.0 86.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.32 -173.51 3.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.666 HD11 ' O ' ' A' ' 68' ' ' GLN . 11.4 mt -134.65 139.1 31.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 18.4 Cg_endo -75.0 90.31 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.787 HD11 HG13 ' A' ' 72' ' ' VAL . 51.5 mt -67.94 154.95 40.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.554 ' O ' ' C ' ' A' ' 44' ' ' ALA . 18.9 m -136.75 99.26 4.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 110.366 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.554 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -27.76 116.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.51 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 104.06 -47.82 1.05 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.48 1.112 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' THR . 22.7 mmtt -51.85 163.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.534 ' HD1' HG11 ' A' ' 80' ' ' VAL . 49.2 m-85 -119.27 159.47 24.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.733 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -154.74 154.02 32.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.4 m-85 -106.08 112.56 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.717 HG21 ' HB3' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -106.59 116.98 51.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 17' ' ' VAL . 69.1 m-85 -86.93 135.55 33.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.5 -168.59 54.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -106.12 -172.93 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.417 ' SD ' ' CZ ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -46.57 145.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -85.88 -178.38 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.09 -23.18 67.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.25 -28.22 20.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.59 36.85 2.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.458 ' CB ' HD22 ' A' ' 71' ' ' LEU . 9.6 m-85 -123.39 164.77 18.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.717 ' HB3' HG21 ' A' ' 50' ' ' VAL . 1.9 m-85 -111.8 128.36 56.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.61 61.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.51 ' HA3' HG21 ' A' ' 72' ' ' VAL . . . -64.94 152.88 50.71 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' TYR . 33.5 tt0 -129.71 89.14 2.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 110.365 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.556 HD13 HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -38.04 150.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.56 -15.36 37.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -82.74 -14.23 54.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.6 -2.84 36.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.666 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.8 tt0 -61.13 119.32 8.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 0.761 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -109.23 129.73 55.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -177.57 -163.97 30.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.476 ' C ' HG23 ' A' ' 72' ' ' VAL . 83.5 mt -82.04 163.86 21.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.895 ' CG1' HG11 ' A' ' 77' ' ' VAL . 96.1 t -155.62 124.07 2.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.628 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.3 Cg_endo -74.98 128.23 11.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.444 1.76 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.877 ' HA ' HG22 ' A' ' 77' ' ' VAL . 76.2 p -68.37 -7.86 35.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.412 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 1.3 t-20 -89.09 -0.1 57.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 4.8 m-85 -133.02 11.62 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.895 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.2 m -130.0 146.01 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.598 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -129.34 106.83 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.548 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.2 m-85 -47.75 92.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.641 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.4 p -74.93 167.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.539 ' N ' HG22 ' A' ' 80' ' ' VAL . 73.0 mt-30 -141.92 133.84 27.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.29 -56.63 7.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' GLU . 46.5 m-20 -141.36 90.28 2.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -38.6 -67.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.1 t 63.32 115.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.558 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -48.92 -46.41 43.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.558 ' N ' ' CD ' ' A' ' 86' ' ' ARG . 0.2 OUTLIER 38.5 -155.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.61 167.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.87 142.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.2 t -171.02 140.7 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.9 t -162.25 169.18 21.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.6 96.55 0.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 134.37 17.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.441 1.759 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.7 p -161.03 119.65 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.963 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.18 92.21 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -171.18 -50.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 0.805 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.7 m 57.35 165.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.13 -153.73 14.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 p -137.41 -60.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.63 171.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.75 -143.03 5.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 9' ' ' SER . 59.1 p -107.51 85.13 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 110.38 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' THR . 2.6 m 59.64 117.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -114.78 -65.66 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -128.3 -178.18 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -55.15 -166.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.633 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 8.4 p90 -65.99 57.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -108.25 -17.85 13.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.029 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.54 162.91 40.43 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.85 163.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.5 ' CG2' ' CE2' ' A' ' 51' ' ' TYR . 2.0 t -100.27 159.59 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.433 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 15.5 m-70 -142.78 114.13 7.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.634 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 81' ' ' GLN . 11.7 tp -74.46 115.69 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.557 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 64.3 m -121.54 156.72 32.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.323 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 78' ' ' ASP . 4.7 p -121.88 116.11 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 42' ' ' LEU . . . -40.21 119.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.565 ' NE ' ' CZ ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -69.15 -52.7 25.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.565 ' CZ ' ' NE ' ' A' ' 23' ' ' ARG . 55.2 m-85 -134.86 133.95 40.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 t -42.85 139.61 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.548 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 8.2 t80 -141.44 148.76 40.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.79 92.5 4.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -25.02 12.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.54 1.811 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 15.3 m-85 -85.98 19.21 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -110.48 -20.65 12.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.07 179.82 31.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.02 0.24 9.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 m-20 -38.85 125.86 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' C ' ' HD3' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -83.48 -11.24 57.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.267 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.552 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 6.1 t-20 -135.07 60.76 42.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.592 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.99 -34.03 4.14 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.484 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -61.68 -26.51 68.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.552 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -67.75 -8.21 33.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.49 ' O ' HD23 ' A' ' 40' ' ' LEU . 39.9 mt-10 -124.67 172.93 8.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.981 HD13 HD13 ' A' ' 64' ' ' LEU . 10.1 mt -123.47 135.6 26.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 84.68 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.898 HD21 HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -51.35 163.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.649 ' O ' ' C ' ' A' ' 44' ' ' ALA . 11.8 m -149.81 86.22 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.423 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.649 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -17.6 112.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.444 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 108.59 -41.96 2.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 111.063 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 3.6 mttt -51.92 159.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.528 ' HD1' HG11 ' A' ' 80' ' ' VAL . 66.8 m-85 -125.69 144.41 50.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.476 HD23 ' N ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -137.87 -173.79 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 63' ' ' GLU . 73.8 m-85 -137.39 119.61 15.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.617 HG11 ' CD1' ' A' ' 60' ' ' TYR . 1.8 t -94.69 105.82 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.5 ' CE2' ' CG2' ' A' ' 17' ' ' VAL . 35.6 m-85 -80.97 117.05 21.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.32 -125.69 8.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -152.01 -171.99 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 53' ' ' ASP . 7.6 mtm -35.92 129.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -76.02 -176.3 3.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -48.82 -46.14 41.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.92 -20.52 27.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.33 -29.6 6.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -44.53 155.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.617 ' CD1' HG11 ' A' ' 50' ' ' VAL . 7.7 m-85 -100.65 123.15 44.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -76.07 55.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -54.39 137.35 42.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' TYR . 4.1 tt0 -105.42 95.01 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.981 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -40.03 153.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.1 mt -57.96 -21.96 46.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -82.27 -19.25 39.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.29 -4.64 25.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.504 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -54.92 124.3 16.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -108.41 101.33 10.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.88 165.13 26.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.443 ' C ' HG23 ' A' ' 72' ' ' VAL . 43.9 mt -66.25 157.26 31.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.898 HG13 HD21 ' A' ' 42' ' ' LEU . 46.5 t -152.84 126.06 4.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.97 129.07 12.02 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.549 ' HA ' HG22 ' A' ' 77' ' ' VAL . 84.3 p -59.94 -15.12 19.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -84.62 -1.94 56.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.728 ' HB3' HD23 ' A' ' 42' ' ' LEU . 6.4 m-85 -130.18 37.01 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 74' ' ' SER . 15.8 m -156.26 165.08 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.526 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -148.57 105.71 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.557 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 52.8 m-85 -50.59 88.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.656 HG13 ' HG ' ' A' ' 19' ' ' LEU . 1.2 p -69.76 164.85 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.658 ' O ' HD23 ' A' ' 19' ' ' LEU . 10.3 pt20 -64.02 -145.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -176.94 -55.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -169.41 107.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -47.24 6.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.9 p -61.29 104.24 0.37 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.62 -55.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.01 169.32 8.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.8 103.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 t -179.19 90.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -160.18 147.19 16.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.2 p -94.9 124.7 39.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.36 -167.06 21.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.89 30.36 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.2 p -96.55 162.62 13.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.3 m -48.27 -58.49 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.05 144.38 35.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.0 p 179.56 156.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.04 124.7 2.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.04 165.71 4.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.961 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m 59.67 86.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' HG23 ' A' ' 8' ' ' THR . . . -91.47 150.19 20.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.403 HG23 ' C ' ' A' ' 7' ' ' GLY . 54.4 p -150.14 -172.69 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.371 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.2 m -70.79 87.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.053 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -77.26 -66.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -134.39 139.55 45.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -103.52 69.78 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 174.51 -33.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.79 18.41 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.09 -179.15 36.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -57.6 166.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.529 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 2.1 t -109.61 159.73 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.48 ' ND1' ' O ' ' A' ' 17' ' ' VAL . 14.7 m-70 -151.35 105.59 3.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.654 ' CD2' HG13 ' A' ' 80' ' ' VAL . 2.1 tp -74.16 120.65 20.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.501 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 1.6 m -116.06 166.88 11.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.298 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.671 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.5 p -138.22 101.3 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.371 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -33.06 124.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -82.7 -50.82 8.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.473 ' O ' ' CB ' ' A' ' 25' ' ' SER . 62.3 m-85 -126.03 -1.82 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.481 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER 82.93 -179.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.492 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 37.7 t80 178.72 105.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.05 114.36 65.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.415 ' HB2' ' HA ' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.0 -32.58 5.25 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 5.3 m-85 -86.46 34.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -113.23 -28.33 7.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.62 -177.3 31.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.03 0.97 8.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.7 m-20 -36.24 151.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.77 -8.94 15.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.501 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 5.6 t-20 -136.55 60.14 29.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.601 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -75.04 -33.53 4.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.795 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.7 pt-20 -60.46 -27.36 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.479 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -60.77 -40.07 91.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.447 ' O ' HD23 ' A' ' 40' ' ' LEU . 24.8 mt-10 -89.34 -176.15 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.804 HD11 ' O ' ' A' ' 68' ' ' GLN . 10.3 mt -127.98 138.18 32.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 18.3 Cg_endo -74.98 86.49 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.813 HD11 ' HD2' ' A' ' 73' ' ' PRO . 31.3 mt -57.64 149.33 21.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.9 m -134.27 93.81 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.348 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.575 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -25.87 113.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.487 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 108.89 -46.89 1.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.626 ' O ' HG23 ' A' ' 21' ' ' VAL . 10.1 mttt -48.52 176.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.485 ' HA ' ' O ' ' A' ' 20' ' ' CYS . 68.4 m-85 -134.95 148.37 50.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.786 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -149.93 157.67 43.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 63' ' ' GLU . 66.9 m-85 -113.16 131.08 55.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.602 HG11 ' CD1' ' A' ' 60' ' ' TYR . 4.2 t -102.08 116.54 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.529 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 40.5 m-85 -97.19 85.79 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.65 171.31 13.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -80.43 -162.09 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.408 ' SD ' ' N ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -56.45 155.15 7.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.29 176.78 6.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.44 -39.01 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.96 -16.81 32.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.57 43.74 2.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.452 ' CB ' HD22 ' A' ' 71' ' ' LEU . 9.1 m-85 -117.56 167.03 11.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.602 ' CD1' HG11 ' A' ' 50' ' ' VAL . 3.3 m-85 -110.49 128.62 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 50' ' ' VAL . 48.1 mt-10 -73.53 58.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.429 ' HA3' HG21 ' A' ' 72' ' ' VAL . . . -54.52 156.54 7.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 49' ' ' TYR . 39.9 tt0 -131.84 84.23 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.585 HD13 HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -36.73 152.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.74 -18.9 57.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.31 -2.83 56.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.63 1.15 66.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.804 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -62.17 118.41 7.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 0.773 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -106.79 113.2 26.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.464 ' CA ' ' HG ' ' A' ' 40' ' ' LEU . . . -159.68 171.76 36.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.511 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 87.4 mt -61.51 163.59 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.998 ' CG1' HG11 ' A' ' 77' ' ' VAL . 87.8 t -157.67 125.62 2.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.813 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -74.97 134.53 17.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.697 ' HA ' HG22 ' A' ' 77' ' ' VAL . 87.1 p -77.32 10.09 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.513 ' N ' ' OD1' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -105.85 -11.35 16.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 25' ' ' SER . 85.1 m-85 -123.95 16.75 9.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.998 HG11 ' CG1' ' A' ' 72' ' ' VAL . 6.0 m -133.29 142.13 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.539 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -123.43 105.78 10.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -49.49 90.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.654 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.6 p -70.45 160.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 1.4 pt20 -61.68 -142.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.252 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 81' ' ' GLN . 6.9 t0 85.09 -45.78 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -141.18 89.27 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 85' ' ' SER . 0.2 OUTLIER -43.85 -64.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.329 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER 79.61 114.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.42 -30.75 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 6.3 mt -58.05 153.59 14.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 87' ' ' LEU . . . -179.84 -171.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.4 t 58.46 108.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 t -167.76 142.07 3.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.6 t -40.79 126.42 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 137.74 124.77 2.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 176.8 9.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.2 t -170.09 135.22 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.74 89.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 p 178.45 -58.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.773 . . . . 0.0 109.959 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.91 97.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.31 143.39 5.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -129.27 -59.56 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 p 47.77 91.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.963 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.41 152.55 17.06 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -105.97 -16.26 14.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 0.799 . . . . 0.0 110.409 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 p 173.52 107.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -108.27 -57.9 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -135.07 142.65 46.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -89.22 37.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -177.14 34.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.35 23.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.12 179.59 51.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -50.56 159.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.64 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.6 t -104.99 159.74 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 17' ' ' VAL . 20.9 m-70 -149.94 104.03 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.713 ' CD2' HG13 ' A' ' 80' ' ' VAL . 3.5 tp -70.1 119.62 14.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.604 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 12.2 m -115.51 165.41 13.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.8 p -135.08 100.18 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 42' ' ' LEU . . . -38.77 128.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -86.54 -37.33 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 27.3 m-85 -140.53 129.91 23.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.79 129.97 5.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.972 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.514 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 9.9 t80 -123.85 151.88 42.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.43 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 1.1 m120 -148.42 96.81 3.85 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.0 -16.78 20.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 1.2 m-85 -95.07 28.16 2.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -108.05 -24.84 11.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.22 -179.35 32.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.06 -0.32 9.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -38.49 119.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.65 -3.07 42.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.493 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 4.3 t-20 -138.68 60.49 19.8 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.639 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.98 -35.08 3.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.41 -21.95 65.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -60.42 -45.62 92.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.431 ' O ' HD23 ' A' ' 40' ' ' LEU . 22.4 mt-10 -86.35 -178.2 6.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.786 HD11 ' O ' ' A' ' 68' ' ' GLN . 9.1 mt -127.68 135.24 27.17 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 89.52 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.013 HD21 HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -58.77 167.87 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.612 ' O ' ' C ' ' A' ' 44' ' ' ALA . 18.8 m -150.75 95.82 2.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.612 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -22.19 114.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 103.63 -48.63 1.0 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 32.1 mttt -46.79 158.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.518 ' HD1' HG11 ' A' ' 80' ' ' VAL . 64.8 m-85 -117.84 156.4 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.747 ' N ' HD13 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -157.88 153.64 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 63' ' ' GLU . 60.3 m-85 -108.77 131.26 55.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.597 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.8 t -101.56 111.8 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.64 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 34.5 m-85 -93.84 93.98 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.95 -135.15 8.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -151.44 -173.74 4.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.59 121.42 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -162.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.76 -27.04 57.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -88.93 -16.94 30.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.26 43.61 3.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -120.25 171.62 8.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 0.758 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.597 ' CD1' HG11 ' A' ' 50' ' ' VAL . 3.0 m-85 -112.76 129.26 56.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 50' ' ' VAL . 48.4 mt-10 -75.14 60.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.26 157.52 12.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 49' ' ' TYR . 24.1 tt0 -131.63 82.73 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.554 HD13 HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -35.37 146.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.4 mt -57.65 -18.43 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.13 -5.46 58.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.63 -3.06 60.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.786 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -59.58 121.49 11.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -110.8 125.25 53.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -174.96 -179.81 45.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 72' ' ' VAL . 92.6 mt -67.49 164.37 19.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.013 HG13 HD21 ' A' ' 42' ' ' LEU . 70.8 t -158.16 124.82 2.54 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.645 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.3 Cg_endo -74.95 127.01 10.38 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.895 ' HA ' HG22 ' A' ' 77' ' ' VAL . 54.4 p -67.81 -8.33 35.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -87.65 -1.69 58.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 4.7 m-85 -131.01 8.39 4.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.963 HG11 ' CG1' ' A' ' 72' ' ' VAL . 2.7 m -128.73 152.39 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.545 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -135.43 106.8 6.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.604 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.4 m-85 -47.45 92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.713 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.6 p -76.82 169.68 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.574 ' N ' HG22 ' A' ' 80' ' ' VAL . 15.3 pt20 -111.37 122.02 46.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.46 -47.03 48.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.08 94.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.66 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.6 t -156.55 161.21 39.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -100.26 -53.09 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.7 mt -98.78 149.13 23.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.2 172.05 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.05 86.55 6.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.967 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -175.25 145.91 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.99 96.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.57 104.12 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.1 2.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m 50.88 78.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.045 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 t -120.49 -60.18 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 178.18 114.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 0.777 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.57 138.01 27.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 177.94 -175.4 47.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t 68.44 -69.27 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 0.74 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' GLY . 49.2 m 57.23 100.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' CA ' ' CG ' ' A' ' 53' ' ' ASP . . . 115.47 40.24 0.87 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.1 p -91.95 98.59 11.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.0 p -66.73 103.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.967 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.73 -53.2 2.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -128.77 -179.23 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.28 134.22 47.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.503 ' CZ ' ' NH2' ' A' ' 69' ' ' ARG . 14.5 m-85 53.22 53.95 11.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.41 26.84 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' LYS . . . -132.66 138.96 10.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -39.62 156.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.577 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 22.7 m -91.67 -170.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 70.4 m-70 -160.41 99.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.609 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.625 ' HG ' HG13 ' A' ' 80' ' ' VAL . 6.9 tp -58.22 114.44 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.608 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 57.4 m -118.81 162.9 17.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 108.265 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 46' ' ' LYS . 4.0 p -127.68 113.11 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -35.72 118.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.604 ' NE ' ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -67.48 -51.09 55.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.604 ' CZ ' ' NE ' ' A' ' 23' ' ' ARG . 43.0 m-85 -139.8 127.39 21.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' TYR . 0.7 OUTLIER -38.91 120.69 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -135.87 147.69 48.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.35 118.43 8.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.407 ' HB2' ' HA ' ' A' ' 36' ' ' PRO . 18.1 Cg_endo -75.06 -30.99 6.5 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.79 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.61 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 4.0 m-85 -86.25 32.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -111.89 -24.34 10.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.04 -173.55 22.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.059 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.01 0.27 9.11 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -38.42 119.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.73 -5.6 57.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.578 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 6.0 t-20 -137.73 59.88 22.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.61 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.98 -34.52 3.77 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.9 pt-20 -60.96 -28.25 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.578 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -59.0 -46.92 86.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -82.59 -176.04 6.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.647 HD13 ' HG ' ' A' ' 64' ' ' LEU . 12.3 mt -129.42 141.19 40.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 90.95 1.05 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.698 HD21 HG13 ' A' ' 72' ' ' VAL . 10.5 mt -63.48 149.74 45.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.555 ' O ' ' C ' ' A' ' 44' ' ' ALA . 15.7 m -139.53 96.55 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.555 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -27.11 108.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 114.19 -45.57 1.29 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.664 ' O ' HG23 ' A' ' 21' ' ' VAL . 7.1 mttt -46.47 171.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.462 ' HA ' ' O ' ' A' ' 20' ' ' CYS . 72.7 m-85 -132.96 144.47 50.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.654 HD12 ' HA3' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -145.56 160.29 41.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 0.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 63' ' ' GLU . 71.7 m-85 -116.57 126.89 53.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.632 HG11 ' CD1' ' A' ' 60' ' ' TYR . 1.3 t -98.65 103.39 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.574 ' CD1' HG12 ' A' ' 17' ' ' VAL . 4.9 m-85 -69.19 121.15 16.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 18' ' ' HIS . . . 81.54 -118.36 4.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.477 ' CG ' ' CA ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -151.72 -165.38 2.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 0.757 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.7 mtm -37.29 145.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -90.18 178.77 6.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -62.7 -25.68 68.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.84 -20.73 21.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.98 -18.01 24.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -69.69 166.64 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 0.723 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.632 ' CD1' HG11 ' A' ' 50' ' ' VAL . 2.0 m-85 -103.83 119.76 39.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -69.89 58.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.654 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -58.41 152.93 28.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.9 tm-20 -121.69 115.36 22.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.647 ' HG ' HD13 ' A' ' 40' ' ' LEU . 5.6 mt -54.51 -172.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.1 mt -85.83 -40.48 15.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.1 -7.15 47.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.21 -0.74 37.86 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.509 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -56.95 121.41 9.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 0.804 . . . . 0.0 110.302 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.503 ' NH2' ' CZ ' ' A' ' 13' ' ' TYR . 51.9 mmm-85 -108.42 150.32 27.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 174.76 -175.63 46.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 38' ' ' ALA . 71.1 mt -83.98 154.95 23.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.698 HG13 HD21 ' A' ' 42' ' ' LEU . 30.6 t -151.46 132.4 7.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.698 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.2 Cg_endo -74.97 133.78 17.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 40.0 t -70.48 -2.92 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -97.09 1.77 50.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.559 ' O ' HD13 ' A' ' 42' ' ' LEU . 5.7 m-85 -137.53 39.41 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.492 HG11 ' CG1' ' A' ' 72' ' ' VAL . 10.8 m -154.64 151.35 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.506 ' HB3' HG12 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -135.7 107.61 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.608 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 57.5 m-85 -52.28 86.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.625 HG13 ' HG ' ' A' ' 19' ' ' LEU . 2.1 p -68.37 169.84 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.572 ' N ' HG22 ' A' ' 80' ' ' VAL . 22.2 pt20 -113.49 128.4 56.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -52.75 16.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 51.72 99.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.96 -50.93 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.29 91.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.37 -53.94 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.01 175.93 6.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.83 170.74 15.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.74 125.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.039 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -173.95 144.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.4 t -39.44 157.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.97 117.2 3.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.441 1.088 . . . . 0.0 111.029 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.4 42.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.446 1.761 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.8 m 60.23 92.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.979 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.24 127.45 3.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.37 -58.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 0.0 109.974 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 p -132.92 160.58 36.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.88 -114.91 1.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -169.15 -57.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.07 172.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' C ' HG23 ' A' ' 8' ' ' THR . . . -98.91 -76.93 1.29 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.416 HG23 ' C ' ' A' ' 7' ' ' GLY . 81.1 p -151.2 -174.2 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 110.452 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' GLN . 7.6 t 62.14 173.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.63 -61.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' SER . 52.3 mt-30 -134.09 139.7 46.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.56 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 17.9 mtt180 -79.94 161.55 25.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 15.4 p90 37.63 40.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.4 p -90.77 -54.15 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.38 165.37 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.51 162.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.699 ' CG2' ' CE2' ' A' ' 51' ' ' TYR . 3.5 t -106.76 147.23 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.484 ' HB2' HG13 ' A' ' 50' ' ' VAL . 96.8 m-70 -129.67 82.97 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.573 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.609 ' HG ' HG13 ' A' ' 80' ' ' VAL . 5.4 tp -52.66 122.75 9.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.632 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 57.1 m -122.26 159.64 26.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.326 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 78' ' ' ASP . 4.9 p -126.88 109.9 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 42' ' ' LEU . . . -39.86 134.36 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HB3' ' CD2' ' A' ' 24' ' ' TYR . 34.3 ttt180 -92.4 -29.75 16.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 23' ' ' ARG . 38.3 m-85 -146.32 130.27 17.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -45.58 137.24 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.512 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 10.4 t80 -134.04 153.64 51.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.432 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -150.12 95.69 3.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.16 13.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.621 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 2.0 m-85 -90.86 26.09 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.59 -14.0 14.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.39 -178.37 21.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.0 -2.57 12.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -39.47 118.27 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.89 -2.63 40.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.601 ' OD1' ' HB2' ' A' ' 38' ' ' ALA . 5.0 t-20 -138.7 60.18 18.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.621 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.1 Cg_endo -75.0 -33.04 4.88 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 3.1 pt-20 -63.72 -27.25 69.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.601 ' HB2' ' OD1' ' A' ' 35' ' ' ASN . . . -60.11 -15.31 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -120.03 175.71 5.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.838 HD13 ' HG ' ' A' ' 64' ' ' LEU . 10.9 mt -123.39 136.85 27.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -75.03 88.12 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.69 HD21 ' HD2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -55.66 165.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.639 ' O ' ' C ' ' A' ' 44' ' ' ALA . 5.1 m -154.39 88.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.639 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -17.58 108.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.488 ' O ' HG23 ' A' ' 21' ' ' VAL . . . 110.86 -43.52 1.7 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.48 ' CG ' ' HB ' ' A' ' 43' ' ' THR . 15.6 mttt -46.68 162.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.418 ' HB3' HD11 ' A' ' 19' ' ' LEU . 79.5 m-85 -125.6 147.03 49.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.728 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -149.5 163.17 38.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.495 ' CE1' HD13 ' A' ' 19' ' ' LEU . 64.4 m-85 -115.87 114.3 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.666 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.2 p -104.25 121.42 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.699 ' CE2' ' CG2' ' A' ' 17' ' ' VAL . 51.8 m-85 -94.06 145.48 24.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.02 -178.01 22.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -80.91 -154.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.53 150.5 47.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -75.45 173.16 11.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -48.25 -33.78 9.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -93.59 -22.53 18.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.38 -25.97 5.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 71' ' ' LEU . 8.3 m-85 -51.11 155.24 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.666 ' HB3' HG21 ' A' ' 50' ' ' VAL . 2.0 m-85 -105.99 126.83 52.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.42 62.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' TYR . . . -66.1 153.34 51.85 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.1 tm-20 -125.26 116.03 21.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.261 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.838 ' HG ' HD13 ' A' ' 40' ' ' LEU . 5.4 mt -54.92 -171.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.2 mt -94.32 -6.88 43.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 109.243 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -101.89 -6.17 23.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.7 4.85 42.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.487 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -64.38 120.37 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 0.733 . . . . 0.0 110.307 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -107.26 98.46 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.57 165.78 24.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 59' ' ' PHE . 37.4 mt -63.91 162.65 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.963 HG12 HG11 ' A' ' 77' ' ' VAL . 81.1 t -155.76 122.71 2.7 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.765 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.4 Cg_endo -75.0 129.77 12.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.838 ' HA ' HG22 ' A' ' 77' ' ' VAL . 32.4 t -69.2 -7.35 35.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -89.91 -1.76 58.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 5.1 m-85 -131.67 11.65 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.963 HG11 HG12 ' A' ' 72' ' ' VAL . 2.9 m -127.69 153.35 36.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.579 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -135.23 107.36 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.632 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.9 m-85 -47.63 110.15 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.609 HG13 ' HG ' ' A' ' 19' ' ' LEU . 1.1 p -97.68 165.65 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.498 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.6 mm-40 -113.71 -131.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.278 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 71.02 -68.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -132.64 87.31 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.06 -59.66 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.9 t 179.08 117.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.627 ' HD2' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -48.59 -24.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.348 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.627 HD12 ' HD2' ' A' ' 86' ' ' ARG . 1.6 mp -58.73 169.1 1.03 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.26 174.35 10.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.4 t -81.57 171.22 14.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.3 t -174.18 139.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.435 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 t -67.71 162.54 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.84 95.91 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 178.72 6.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 m -168.18 161.68 12.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.2 m 59.85 112.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.034 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 110.958 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.417 ' HB ' ' CD1' ' A' ' 51' ' ' TYR . 5.5 p -119.12 153.25 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.422 ' HB2' HG13 ' A' ' 50' ' ' VAL . 88.2 m-70 -120.75 140.39 51.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.634 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.648 ' CD2' HG13 ' A' ' 80' ' ' VAL . 1.3 tp -97.65 118.44 34.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.498 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 66.7 m -118.77 158.9 24.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.581 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.4 p -124.5 108.78 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -35.86 123.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.488 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.9 ttt180 -83.53 -27.74 29.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.065 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 31.5 m-85 -150.8 124.95 9.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.1 p -44.19 121.15 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 27' ' ' ASN . 22.6 t80 -126.93 152.02 47.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.405 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -146.8 113.87 4.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -30.5 7.06 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.449 1.762 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.62 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.6 m-85 -87.21 30.95 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.97 -15.75 12.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.69 -175.35 19.07 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.03 -0.71 10.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -39.71 118.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.9 -5.48 53.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.717 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -136.93 60.58 30.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.62 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.5 Cg_endo -74.98 -34.03 4.16 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.517 1.799 . . . . 0.0 111.047 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.0 pt-20 -61.99 -28.59 69.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.717 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -57.47 -48.53 78.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.448 ' O ' HD23 ' A' ' 40' ' ' LEU . 40.7 mt-10 -81.24 -172.53 3.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 62' ' ' GLY . 12.9 mt -134.59 141.48 39.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -75.0 94.11 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.774 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.852 HD11 ' HD2' ' A' ' 73' ' ' PRO . 12.6 mt -69.81 146.63 51.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.493 ' O ' ' C ' ' A' ' 44' ' ' ALA . 44.0 m -131.55 104.29 6.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -33.78 117.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.53 -43.73 1.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.4 mtmt -58.9 163.91 3.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.563 ' HD1' HG11 ' A' ' 80' ' ' VAL . 25.1 m-85 -123.1 164.4 18.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.746 HD11 HG11 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -153.82 162.69 41.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' GLU . 49.4 m-85 -115.28 107.82 15.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.639 HG21 ' CD1' ' A' ' 60' ' ' TYR . 1.5 p -98.03 113.88 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.417 ' CD1' ' HB ' ' A' ' 17' ' ' VAL . 92.9 m-85 -80.03 142.1 35.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.18 -130.9 11.71 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.85 -167.24 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.798 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -37.48 142.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -91.66 174.05 7.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.072 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.74 -26.71 67.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.18 -31.63 19.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 112.55 36.92 1.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -126.63 166.49 17.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.987 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.639 ' CD1' HG21 ' A' ' 50' ' ' VAL . 3.7 m-85 -110.32 128.32 55.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -75.27 56.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.579 ' O ' HD12 ' A' ' 40' ' ' LEU . . . -60.67 141.86 48.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' TYR . 33.8 tt0 -113.24 97.29 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.736 . . . . 0.0 110.258 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.552 HD13 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -41.47 153.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.27 -17.26 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -84.29 -11.82 55.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.73 -3.11 36.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.522 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -60.82 123.22 16.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.778 . . . . 0.0 110.283 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -112.39 121.94 46.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -168.67 -177.84 39.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 72' ' ' VAL . 82.6 mt -70.74 163.27 27.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.901 ' CG1' HG11 ' A' ' 77' ' ' VAL . 70.6 t -158.06 125.06 2.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.852 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -75.02 130.48 13.29 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.827 ' HA ' HG22 ' A' ' 77' ' ' VAL . 32.5 t -70.52 -6.59 37.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 1.2 t30 -90.43 -2.98 57.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -127.97 8.65 6.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.901 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.3 m -129.25 144.62 37.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -123.99 107.41 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.498 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 33.8 m-85 -50.18 88.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.648 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.6 p . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.646 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 2.1 t -82.35 129.87 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.524 ' HB2' HG13 ' A' ' 50' ' ' VAL . 23.5 m-70 -119.25 108.64 14.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.626 ' HG ' HG13 ' A' ' 80' ' ' VAL . 6.0 tp -68.14 119.26 12.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.619 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 83.0 m -123.08 154.85 38.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.289 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.515 HG23 ' CD1' ' A' ' 47' ' ' TYR . 3.1 p -120.55 114.77 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -43.5 130.41 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.488 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 4.4 ttt180 -88.64 -27.76 21.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 30.2 m-85 -151.0 128.49 11.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.55 118.82 2.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.035 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -128.15 146.11 50.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.07 116.26 8.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.41 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -74.99 -30.74 6.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 46.2 m-85 -84.67 29.2 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 30' ' ' ASP . 4.6 t0 -110.7 -28.01 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.25 -178.84 28.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.98 0.39 8.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.439 1.757 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -37.27 121.91 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.07 -5.0 55.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.648 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -138.63 59.69 17.48 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.604 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -75.0 -34.64 3.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.451 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 1.7 pt-20 -61.3 -30.64 70.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.648 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -57.17 -47.76 80.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.06 -174.45 4.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.692 HD13 HD13 ' A' ' 64' ' ' LEU . 12.8 mt -133.82 142.69 44.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.87 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.997 HD11 ' HD2' ' A' ' 73' ' ' PRO . 9.9 mt -68.2 152.52 45.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 44' ' ' ALA . 27.7 m -140.93 103.69 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.72 116.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.52 -46.64 1.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -53.73 166.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.515 ' CD1' HG23 ' A' ' 21' ' ' VAL . 33.1 m-85 -128.54 163.99 23.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.723 HD11 HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -157.82 161.85 38.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' HB3' HG13 ' A' ' 17' ' ' VAL . 48.9 m-85 -112.35 108.97 18.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.4 p -100.04 117.65 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.646 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 24.1 m-85 -83.24 143.01 30.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 18' ' ' HIS . . . 67.56 -153.89 52.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -119.0 -174.32 2.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.0 mtm -44.54 146.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.21 -164.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.54 -26.62 55.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -86.79 -27.41 23.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.67 45.7 1.38 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.488 ' CB ' HD22 ' A' ' 71' ' ' LEU . 7.0 m-85 -132.14 161.92 32.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 110.97 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.614 ' HB3' HG21 ' A' ' 50' ' ' VAL . 5.0 m-85 -106.55 132.23 52.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -78.9 52.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.551 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -53.76 145.64 23.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' TYR . 44.0 tt0 -117.56 94.69 4.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.692 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -39.74 146.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.0 mt -55.43 -22.54 20.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -77.11 -28.88 54.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.88 -5.4 8.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.426 1.079 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.484 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.2 tt0 -57.53 121.8 11.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -111.04 111.19 22.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -155.42 -173.91 24.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 72' ' ' VAL . 93.8 mt -75.74 163.23 27.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.758 ' CG1' HG11 ' A' ' 77' ' ' VAL . 73.0 t -157.23 122.98 2.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.997 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -74.97 127.41 10.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.78 ' HA ' HG22 ' A' ' 77' ' ' VAL . 31.1 t -66.68 -10.57 47.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -86.79 -0.09 55.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CB ' HD12 ' A' ' 42' ' ' LEU . 6.9 m-85 -131.29 16.98 4.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.78 HG22 ' HA ' ' A' ' 74' ' ' SER . 4.9 m -140.18 150.8 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -129.07 107.55 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.619 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.9 m-85 -47.89 91.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.626 HG13 ' HG ' ' A' ' 19' ' ' LEU . 1.1 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 49' ' ' TYR . 4.2 p -121.07 163.65 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.438 ' HB2' HG13 ' A' ' 50' ' ' VAL . 81.9 m-70 -136.79 136.1 38.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.607 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.789 ' CD2' HG13 ' A' ' 80' ' ' VAL . 2.1 tp -92.17 118.56 30.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.587 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 35.3 m -118.75 149.22 41.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.7 p -114.14 110.0 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -38.46 127.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 15.1 ttt180 -86.15 -30.54 22.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.469 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 27.2 m-85 -148.89 133.62 17.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.75 119.96 5.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.045 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 57.8 t80 -128.59 141.96 51.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.74 115.12 12.25 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.65 8.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.615 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.1 m-85 -87.63 31.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.94 -18.14 12.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.14 -176.29 20.9 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 -0.86 10.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -39.38 120.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.71 -4.43 54.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.269 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.575 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -137.98 60.44 23.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.615 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -74.99 -33.11 4.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.782 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.9 pt-20 -62.37 -28.9 70.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.575 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -57.31 -47.09 82.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' O ' HD23 ' A' ' 40' ' ' LEU . 46.3 mt-10 -82.86 -172.98 4.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.78 HD13 HD13 ' A' ' 64' ' ' LEU . 13.4 mt -134.57 142.94 44.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 18.2 Cg_endo -75.06 92.29 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.025 HD11 ' HD2' ' A' ' 73' ' ' PRO . 8.8 mt -64.99 148.56 51.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 23.7 m -136.57 103.78 5.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.75 118.06 0.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.506 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 104.08 -43.82 1.6 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 43' ' ' THR . 15.3 mmtt -57.72 161.75 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.613 ' HD2' HG11 ' A' ' 80' ' ' VAL . 21.6 m-85 -119.67 171.52 8.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.941 HD11 HG11 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -164.83 156.97 15.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 63' ' ' GLU . 41.3 m-85 -110.06 109.66 20.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.598 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.4 p -97.26 109.37 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -76.48 144.94 39.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.82 -137.93 37.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -129.86 -175.25 3.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.407 ' CE ' ' CZ ' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -44.21 159.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -95.9 173.23 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.71 -12.79 50.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -92.34 -30.95 15.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.28 37.27 1.66 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.424 ' HB2' HD22 ' A' ' 71' ' ' LEU . 23.2 m-85 -132.7 164.57 26.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 0.793 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.598 ' HB3' HG21 ' A' ' 50' ' ' VAL . 2.7 m-85 -104.96 127.4 52.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -69.99 60.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.682 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -63.99 143.14 47.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TYR . 34.8 tt0 -115.94 96.85 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.78 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -41.79 148.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.4 mt -58.09 -17.81 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.45 -15.58 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.21 -3.73 31.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.534 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.4 tt0 -60.24 121.2 11.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -107.9 113.43 26.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -158.59 179.98 33.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.458 ' C ' HG23 ' A' ' 72' ' ' VAL . 69.5 mt -70.07 160.04 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.941 HG11 HD11 ' A' ' 48' ' ' LEU . 61.7 t -154.08 119.99 2.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 1.025 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -75.0 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.831 ' HA ' HG22 ' A' ' 77' ' ' VAL . 59.1 p -54.36 -20.73 7.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -72.64 -5.17 35.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.581 ' CB ' HD12 ' A' ' 42' ' ' LEU . 5.1 m-85 -129.28 19.11 5.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.831 HG22 ' HA ' ' A' ' 74' ' ' SER . 1.4 m -137.27 153.81 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -134.67 106.54 7.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.587 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.1 m-85 -47.02 92.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.789 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.1 p . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 49' ' ' TYR . 4.6 p -122.96 147.59 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.436 ' HB2' HG13 ' A' ' 50' ' ' VAL . 67.4 m-70 -115.33 137.21 52.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.568 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 tp -95.24 109.24 21.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.563 ' SG ' ' CE1' ' A' ' 79' ' ' PHE . 33.8 m -109.27 161.46 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.329 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.678 HG23 ' CD1' ' A' ' 47' ' ' TYR . 5.3 p -126.01 108.3 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -36.12 123.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 20.5 ttt180 -83.82 -31.05 26.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.439 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 26.9 m-85 -146.63 128.52 15.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.3 p -49.22 119.46 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -130.04 142.69 50.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.42 116.75 11.1 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.42 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.4 Cg_endo -74.96 -31.36 6.34 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 45.5 m-85 -84.65 29.51 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -111.82 -27.12 8.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.62 -178.99 28.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.98 -0.13 9.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.8 m-20 -37.47 121.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.15 -6.18 55.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.706 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -137.52 60.3 25.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.592 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.95 -35.36 3.23 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 1.5 pt-20 -60.49 -31.1 70.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.706 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -56.02 -48.33 76.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -80.5 -175.22 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.599 HD13 HD13 ' A' ' 64' ' ' LEU . 13.1 mt -132.72 142.85 46.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 95.44 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.862 HD11 ' HD2' ' A' ' 73' ' ' PRO . 11.8 mt -71.47 145.46 49.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 44' ' ' ALA . 20.4 m -130.27 103.51 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.422 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.02 117.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.17 -43.51 1.65 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' THR . 36.7 mmtt -58.55 162.55 3.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.678 ' CD1' HG23 ' A' ' 21' ' ' VAL . 6.3 m-85 -122.59 156.22 34.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.797 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -145.16 163.95 32.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' GLU . 42.4 m-85 -116.08 107.69 15.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.607 HG21 ' CD1' ' A' ' 60' ' ' TYR . 1.5 p -97.18 112.33 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -78.85 140.03 38.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.75 178.5 7.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -81.44 -173.03 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.805 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.454 ' N ' ' SD ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -40.86 156.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.24 -175.17 5.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -61.6 -34.31 75.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.02 -28.17 20.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.3 -8.19 7.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -73.68 163.68 27.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.607 ' CD1' HG21 ' A' ' 50' ' ' VAL . 5.2 m-85 -108.81 131.1 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -76.15 52.85 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.695 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -55.56 142.31 37.28 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' TYR . 41.5 tt0 -115.43 99.03 7.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.77 . . . . 0.0 110.277 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.599 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -40.16 153.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.8 -14.81 55.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -86.71 -19.77 28.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.84 -8.78 14.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.527 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -55.63 123.4 13.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -112.29 123.53 50.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -168.41 -174.8 37.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 72' ' ' VAL . 84.5 mt -73.89 162.43 29.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.839 ' CG1' HG11 ' A' ' 77' ' ' VAL . 69.7 t -157.31 124.47 2.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.862 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -74.99 130.82 13.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.443 1.76 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.764 ' HA ' HG22 ' A' ' 77' ' ' VAL . 60.6 p -69.51 -7.37 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.37 0.84 57.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -132.3 13.74 4.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.839 HG11 ' CG1' ' A' ' 72' ' ' VAL . 4.4 m -135.27 138.12 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.513 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -116.62 107.36 14.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.563 ' CE1' ' SG ' ' A' ' 20' ' ' CYS . 2.3 m-85 -50.61 110.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.543 HG22 ' HB ' ' A' ' 21' ' ' VAL . 2.2 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.459 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 1.7 t -101.54 155.86 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 17' ' ' VAL . 18.0 m-70 -151.52 113.09 4.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.6 ' CD2' HG13 ' A' ' 80' ' ' VAL . 6.1 tp -79.09 117.66 20.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.608 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 51.7 m -121.03 148.43 44.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 45' ' ' GLY . 4.5 p -118.18 118.87 59.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.37 129.96 13.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.427 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 41.0 ttt180 -88.94 -28.72 20.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.427 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 26.9 m-85 -148.96 129.56 14.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.76 121.71 6.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -133.55 144.71 49.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.99 118.44 11.12 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -30.57 6.99 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.445 1.761 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 4.0 m-85 -87.71 34.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -113.08 -26.99 8.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.68 -179.18 30.82 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.99 0.67 8.62 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.7 m-20 -36.6 151.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.44 -6.86 16.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.712 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -136.91 59.93 26.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.619 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -75.0 -33.48 4.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.1 pt-20 -62.09 -28.55 69.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.712 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -58.51 -46.64 86.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.434 ' O ' HD23 ' A' ' 40' ' ' LEU . 46.8 mt-10 -82.93 -172.19 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.63 HD13 HD13 ' A' ' 64' ' ' LEU . 13.6 mt -135.08 143.4 45.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.53 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.959 HD11 ' HD2' ' A' ' 73' ' ' PRO . 8.4 mt -65.21 149.43 49.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.504 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.6 m -140.3 103.46 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.504 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -32.46 114.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.353 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 107.07 -44.08 1.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' THR . 8.9 mttt -56.33 148.25 19.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.554 ' HD1' HG11 ' A' ' 80' ' ' VAL . 50.2 m-85 -105.8 170.78 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.656 HD11 HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -165.08 158.13 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 63' ' ' GLU . 59.1 m-85 -115.19 122.13 45.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.614 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.5 t -96.5 113.28 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.425 ' CE1' HG22 ' A' ' 17' ' ' VAL . 36.7 m-85 -87.0 87.51 7.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.3 -176.83 16.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.493 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 8.7 t0 -83.91 -170.25 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.797 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.493 ' HE2' ' HB3' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -60.92 157.73 14.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.78 173.11 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -56.11 -27.86 55.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.86 -19.09 25.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.8 25.91 7.82 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -102.67 160.03 14.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.614 ' CD1' HG11 ' A' ' 50' ' ' VAL . 4.0 m-85 -109.96 132.2 54.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.414 ' N ' HG13 ' A' ' 50' ' ' VAL . 61.2 mt-10 -79.4 61.0 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.84 144.27 48.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 49' ' ' TYR . 21.4 tt0 -115.19 89.55 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.757 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.63 HD13 HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -39.97 145.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.615 ' H ' HD12 ' A' ' 65' ' ' LEU . 5.5 mp -57.3 -17.88 14.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -82.92 -6.57 59.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.42 6.29 57.59 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.482 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -70.81 121.95 18.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -111.57 115.22 28.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -161.04 -178.76 35.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.439 ' C ' HG23 ' A' ' 72' ' ' VAL . 83.7 mt -73.4 158.98 33.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.876 ' CG1' HG11 ' A' ' 77' ' ' VAL . 97.4 t -154.42 125.21 3.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.959 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.5 Cg_endo -74.98 132.02 14.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.823 ' HA ' HG22 ' A' ' 77' ' ' VAL . 78.2 p -71.5 -4.37 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -91.77 -1.69 57.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.492 ' CB ' HD12 ' A' ' 42' ' ' LEU . 7.6 m-85 -130.37 9.16 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.876 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.6 m -129.21 156.65 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.478 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -136.31 108.71 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.359 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.608 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.6 m-85 -50.97 88.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.6 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.5 p . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.534 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.9 t -105.67 161.47 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 8.8 m-70 -147.41 113.32 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.58 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.592 ' CD2' HG13 ' A' ' 80' ' ' VAL . 6.2 tp -76.86 119.3 20.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.581 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 62.5 m -122.76 148.91 44.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.347 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 78' ' ' ASP . 3.8 p -118.08 120.36 64.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.494 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -51.34 137.12 23.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.522 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 25.6 ttt180 -93.34 -31.84 14.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.522 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 30.6 m-85 -148.25 130.57 15.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.42 123.72 4.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.482 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 10.7 t80 -117.82 153.06 34.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.439 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -147.43 97.65 4.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -19.02 18.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.55 1.816 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 1.8 m-85 -97.39 30.47 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -108.56 -30.03 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.07 -177.57 33.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.03 0.83 8.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.807 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.8 m-20 -37.06 117.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -77.12 -2.4 34.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.48 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -137.19 60.74 29.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.632 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.99 -41.46 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -60.88 -24.17 65.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -58.71 -48.86 79.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.466 ' O ' HD23 ' A' ' 40' ' ' LEU . 33.8 mt-10 -83.99 -174.81 5.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.678 HD13 HD13 ' A' ' 64' ' ' LEU . 10.8 mt -131.78 136.17 27.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 91.82 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.852 HD21 HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -60.67 177.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.65 ' O ' ' C ' ' A' ' 44' ' ' ALA . 6.1 m -160.79 89.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.65 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -17.81 115.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.453 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 103.29 -42.02 1.99 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 6.6 mttm -51.96 159.34 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.764 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.553 ' HD1' HG11 ' A' ' 80' ' ' VAL . 54.6 m-85 -123.59 148.67 46.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.763 HD11 HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -144.42 165.78 26.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' GLU . 60.6 m-85 -118.82 122.18 41.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.612 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.1 t -98.38 113.57 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 25.5 m-85 -89.49 98.49 11.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.22 -169.47 13.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -95.55 -172.5 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.434 ' N ' ' SD ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -50.09 158.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.4 172.3 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.43 -27.17 62.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -89.55 -17.85 27.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.74 27.87 8.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -110.32 168.2 9.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.612 ' CD1' HG11 ' A' ' 50' ' ' VAL . 3.2 m-85 -111.14 125.73 54.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -76.02 62.9 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.61 150.07 42.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 49' ' ' TYR . 29.8 tt0 -118.02 92.36 3.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.678 HD13 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -39.77 148.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.7 mt -55.88 -24.1 35.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -77.25 -22.82 51.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.51 1.81 21.46 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.576 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.5 tt0 -63.36 124.23 20.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -109.85 111.29 22.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -154.82 176.87 32.4 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 72' ' ' VAL . 74.6 mt -70.3 162.22 28.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.79 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.888 ' CG1' HG11 ' A' ' 77' ' ' VAL . 76.0 t -157.39 126.93 3.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.629 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.4 Cg_endo -74.96 131.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.461 1.769 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.827 ' HA ' HG22 ' A' ' 77' ' ' VAL . 59.5 p -71.78 -4.16 26.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 4.7 t30 -91.77 -9.77 42.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -119.88 5.75 10.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.888 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.0 m -125.98 157.43 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.507 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -138.47 106.99 5.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.581 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.9 m-85 -48.88 91.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.592 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.7 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.468 HG21 ' HB3' ' A' ' 49' ' ' TYR . 5.6 p -114.91 153.91 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.455 ' O ' HG12 ' A' ' 50' ' ' VAL . 77.4 m-70 -126.05 131.06 52.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.63 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.696 ' CD2' HG13 ' A' ' 80' ' ' VAL . 1.1 tp -88.79 119.27 29.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.557 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 35.4 m -118.96 156.77 28.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 108.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.579 HG23 ' CD1' ' A' ' 47' ' ' TYR . 3.9 p -116.2 112.77 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -34.99 117.93 0.41 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -74.12 -50.72 18.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.56 ' CE1' ' HD2' ' A' ' 23' ' ' ARG . 56.2 m-85 -137.05 127.56 26.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 p -41.13 116.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.97 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -128.29 145.31 51.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.55 116.62 5.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.432 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.0 -29.15 8.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 42.2 m-85 -85.14 30.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.47 -25.22 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.58 177.35 23.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.481 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.02 1.56 7.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.481 ' C ' ' O ' ' A' ' 32' ' ' PRO . 3.0 m-20 -33.92 148.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' C ' ' HD3' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -100.0 -10.38 21.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.709 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -136.43 59.48 26.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.605 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -74.98 -33.59 4.49 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 3.4 pt-20 -61.94 -29.95 70.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.709 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -55.27 -48.32 74.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' O ' HD23 ' A' ' 40' ' ' LEU . 75.6 mt-10 -82.16 -177.25 6.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.661 HD11 ' O ' ' A' ' 68' ' ' GLN . 11.7 mt -130.27 141.75 43.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 92.87 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.675 HD11 ' HD2' ' A' ' 73' ' ' PRO . 14.8 mt -70.49 147.74 49.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.518 ' O ' ' C ' ' A' ' 44' ' ' ALA . 18.8 m -131.4 102.54 6.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.518 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -31.37 115.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.411 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.29 -42.97 1.78 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.06 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' THR . 32.1 mmtt -60.33 160.7 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.61 ' HD1' HG11 ' A' ' 80' ' ' VAL . 30.0 m-85 -117.07 173.11 6.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.626 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -165.92 155.13 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.468 ' HB3' HG21 ' A' ' 17' ' ' VAL . 34.8 m-85 -107.27 108.86 20.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.3 p -96.25 106.06 17.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.405 ' N ' HG23 ' A' ' 17' ' ' VAL . 81.4 m-85 -72.12 140.6 48.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.29 -146.53 47.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -121.64 -177.15 3.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.408 ' HG2' ' N ' ' A' ' 59' ' ' PHE . 6.1 ttm -48.96 157.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.71 172.9 8.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.37 -13.94 23.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.73 -31.56 17.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.26 41.42 1.65 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.408 ' N ' ' HG2' ' A' ' 54' ' ' MET . 17.6 m-85 -135.08 164.41 27.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 110.982 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.565 ' HB3' HG21 ' A' ' 50' ' ' VAL . 8.1 m-85 -104.94 137.91 41.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -81.66 47.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.522 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -47.65 143.79 6.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' TYR . 24.6 tt0 -118.38 93.21 4.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.59 HD13 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -38.83 145.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.9 mt -54.69 -22.07 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -77.24 -24.4 51.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.96 -0.03 17.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.661 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.6 tt0 -65.06 122.44 17.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -109.78 117.55 34.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.441 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -160.54 179.86 35.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.598 ' O ' HG23 ' A' ' 72' ' ' VAL . 69.5 mt -69.71 162.89 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.665 HG13 HD11 ' A' ' 42' ' ' LEU . 53.4 t -158.76 122.64 2.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.675 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.2 Cg_endo -74.95 129.9 12.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.598 ' HA ' HG22 ' A' ' 77' ' ' VAL . 80.2 p -66.62 -11.01 51.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.412 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 1.6 m-20 -87.12 -0.34 56.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.462 ' C ' HG13 ' A' ' 77' ' ' VAL . 5.1 m-85 -131.93 30.14 4.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.607 HG11 ' CG1' ' A' ' 72' ' ' VAL . 17.2 m -154.86 155.23 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -134.27 107.34 7.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.248 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.557 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.7 m-85 -46.67 91.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.696 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.3 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttt . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 18' ' ' HIS . 1.4 t -104.85 161.2 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.451 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 23.8 m-70 -150.66 100.15 2.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.723 ' CD2' HG13 ' A' ' 80' ' ' VAL . 4.1 tp -71.84 119.24 15.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.561 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 75.2 m -124.23 156.5 36.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 45' ' ' GLY . 4.0 p -124.4 118.6 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -48.32 131.48 16.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 6.4 ttt180 -87.95 -28.46 21.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 31.5 m-85 -150.82 131.23 13.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.65 118.91 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -129.15 142.03 51.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.22 117.1 11.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.416 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.03 -29.58 8.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.587 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 49.4 m-85 -85.74 29.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 9.0 t0 -111.94 -27.67 8.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.44 176.72 31.6 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 0.77 8.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.6 m-20 -36.14 151.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.41 -7.8 18.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.675 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -136.86 60.2 28.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.587 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.97 -33.67 4.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.773 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -61.66 -31.05 71.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.675 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -56.64 -48.0 78.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -80.36 -173.46 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 62' ' ' GLY . 12.6 mt -135.06 143.28 45.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 93.6 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.972 HD11 ' HD2' ' A' ' 73' ' ' PRO . 10.0 mt -66.52 152.84 44.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.487 ' O ' ' C ' ' A' ' 44' ' ' ALA . 53.1 m -140.49 103.02 4.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.27 114.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 107.6 -44.87 1.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' CG ' ' HB ' ' A' ' 43' ' ' THR . 23.3 mttt -51.95 159.8 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.784 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.609 ' HD2' HG11 ' A' ' 80' ' ' VAL . 40.1 m-85 -124.62 146.78 48.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.606 HD11 HG11 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -135.72 -171.88 2.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -142.23 116.92 9.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.6 HG11 ' CD1' ' A' ' 60' ' ' TYR . 3.7 t -90.1 127.0 42.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -100.85 86.16 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 18' ' ' HIS . . . 126.71 -152.33 18.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -116.03 -155.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.402 ' O ' ' HG2' ' A' ' 54' ' ' MET . 15.5 ttp -108.27 108.51 19.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.6 19.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 1.8 pt-20 -111.44 40.72 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 3.4 t70 87.49 4.18 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.77 32.3 3.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -118.63 163.7 16.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 111.061 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.6 ' CD1' HG11 ' A' ' 50' ' ' VAL . 5.5 m-85 -121.57 124.97 45.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 50' ' ' VAL . 54.4 mt-10 -67.97 63.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.625 ' O ' HD12 ' A' ' 40' ' ' LEU . . . -71.46 137.27 25.85 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.478 ' OE1' ' CG ' ' A' ' 69' ' ' ARG . 12.2 tt0 -109.23 95.9 5.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.573 HD13 HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -40.02 153.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.4 HD21 ' O ' ' A' ' 47' ' ' TYR . 25.6 mt -62.17 -14.86 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.42 -11.98 50.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.02 -2.79 40.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.588 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.4 tt0 -60.07 120.94 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.478 ' CG ' ' OE1' ' A' ' 63' ' ' GLU . 6.4 mtt180 -108.82 119.12 38.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.239 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -165.9 -175.18 36.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.513 HD22 ' CD ' ' A' ' 56' ' ' GLU . 84.1 mt -77.77 161.68 27.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.81 ' CG1' HG11 ' A' ' 77' ' ' VAL . 96.5 t -153.75 126.93 4.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.972 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -74.97 129.68 12.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.834 ' HA ' HG22 ' A' ' 77' ' ' VAL . 41.7 t -70.38 -5.44 28.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -91.21 -0.38 57.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.421 ' CB ' HD12 ' A' ' 42' ' ' LEU . 6.6 m-85 -131.34 9.35 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.834 HG22 ' HA ' ' A' ' 74' ' ' SER . 3.4 m -128.47 156.07 40.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -137.27 106.79 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 48.0 m-85 -49.52 89.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.723 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.5 p . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.458 HG22 ' CE1' ' A' ' 51' ' ' TYR . 2.0 t -102.0 159.13 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 33.8 m-70 -147.41 98.8 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.501 HD11 ' HB3' ' A' ' 47' ' ' TYR . 29.9 tp -72.0 107.7 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 59.9 m -114.06 151.12 32.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.334 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.586 ' HB ' HG22 ' A' ' 80' ' ' VAL . 3.3 p -119.69 112.56 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -40.92 129.38 2.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 14.1 ttt180 -87.95 -29.95 20.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 32.4 m-85 -149.41 130.05 14.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.81 114.9 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -125.04 142.43 51.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.46 117.16 12.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -29.93 7.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.624 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.3 m-85 -87.12 32.42 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -111.6 -22.64 11.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.36 -175.08 22.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.94 0.05 9.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -38.8 118.79 0.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -78.96 -5.9 54.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.659 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -137.3 60.33 26.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.624 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.99 -32.94 4.97 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.517 1.798 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.7 pt-20 -62.29 -27.91 69.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.659 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -57.34 -49.12 77.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' O ' HD23 ' A' ' 40' ' ' LEU . 45.6 mt-10 -81.4 -172.48 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.585 HD13 HD13 ' A' ' 64' ' ' LEU . 12.5 mt -134.02 142.13 42.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.58 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.028 HD11 ' HD2' ' A' ' 73' ' ' PRO . 10.3 mt -65.11 154.55 37.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.473 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.4 m -142.37 103.63 4.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.092 . . . . 0.0 110.439 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -35.17 115.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.473 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 107.45 -45.52 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 51.8 mmtt -54.47 160.85 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.556 ' CD1' HG23 ' A' ' 21' ' ' VAL . 29.3 m-85 -119.32 156.23 30.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.834 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -148.06 159.93 43.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' GLU . 51.7 m-85 -117.99 117.77 30.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.587 HG11 ' CD1' ' A' ' 60' ' ' TYR . 3.1 t -95.31 117.38 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.458 ' CE1' HG22 ' A' ' 17' ' ' VAL . 37.9 m-85 -90.94 91.2 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.44 ' O ' ' CD2' ' A' ' 18' ' ' HIS . . . 116.62 -164.57 12.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 111.049 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -100.9 -174.29 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.442 ' N ' ' SD ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -48.44 156.18 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -90.97 172.97 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -56.37 -30.03 62.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.77 -20.03 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.81 33.93 4.23 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -114.05 162.97 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 0.801 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.587 ' CD1' HG11 ' A' ' 50' ' ' VAL . 5.3 m-85 -109.61 130.37 55.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.421 ' N ' HG13 ' A' ' 50' ' ' VAL . 87.3 mt-10 -78.43 56.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.35 144.25 45.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.4 OUTLIER -112.75 92.78 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.759 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.585 HD13 HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -39.94 146.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 41.7 mt -55.89 -19.25 11.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -18.76 41.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.84 -3.2 25.87 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.46 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.6 tt0 -60.19 125.74 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -116.09 111.58 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.443 ' CA ' ' HG ' ' A' ' 40' ' ' LEU . . . -156.55 179.4 32.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.135 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' ALA . 55.9 mt -71.9 146.0 48.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 48' ' ' LEU . 75.7 t -139.08 126.17 12.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 1.028 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.2 Cg_endo -74.96 128.21 11.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.725 ' HA ' HG22 ' A' ' 77' ' ' VAL . 75.4 p -68.69 -7.42 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -90.69 0.87 57.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.585 ' CB ' HD12 ' A' ' 42' ' ' LEU . 6.3 m-85 -131.97 15.23 4.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.802 HG11 ' CG1' ' A' ' 72' ' ' VAL . 4.2 m -138.11 152.66 26.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.427 ' HB3' HG12 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -129.09 107.3 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.592 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.2 m-85 -49.1 104.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.586 HG22 ' HB ' ' A' ' 21' ' ' VAL . 3.9 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.681 ' CG1' ' CE2' ' A' ' 51' ' ' TYR . 27.6 m -84.89 163.82 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.536 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 79.3 m-70 -133.03 80.34 1.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' HIS . 9.4 tp -38.59 123.4 1.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.618 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 91.3 m -125.34 179.7 4.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.638 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.5 p -142.35 104.76 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -38.26 127.06 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.521 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 40.9 ttt180 -85.27 -27.09 26.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.521 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 27.7 m-85 -152.44 129.92 11.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.83 116.46 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.434 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 25.6 t80 -126.44 141.26 51.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.06 117.1 11.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.14 9.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.633 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 2.8 m-85 -87.35 32.02 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.66 -21.04 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.04 -176.09 22.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.01 -0.5 10.05 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.504 1.791 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -38.85 119.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -79.31 -4.9 53.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.632 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -137.57 60.25 24.7 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.633 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.97 -32.05 5.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.7 pt-20 -63.67 -26.4 68.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.632 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -57.74 -48.14 80.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 40' ' ' LEU . 40.4 mt-10 -84.41 -176.78 6.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.732 HD13 HD13 ' A' ' 64' ' ' LEU . 9.2 mt -129.38 141.98 43.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 18.4 Cg_endo -74.97 92.81 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.832 HD11 ' HD2' ' A' ' 73' ' ' PRO . 12.6 mt -67.48 146.07 54.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 44' ' ' ALA . 20.6 m -132.52 105.39 7.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -32.27 117.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.538 ' O ' HG23 ' A' ' 21' ' ' VAL . . . 102.93 -46.8 1.17 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.421 1.076 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' THR . 51.7 mmtt -55.66 155.36 5.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.439 ' CD1' HG23 ' A' ' 21' ' ' VAL . 11.3 m-85 -115.13 172.52 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.661 HD11 HG11 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -162.73 160.03 24.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 63' ' ' GLU . 39.6 m-85 -110.71 111.36 22.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.63 HG21 ' CG ' ' A' ' 60' ' ' TYR . 1.2 p -103.66 112.65 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.681 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 91.4 m-85 -78.21 134.55 37.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.13 172.48 10.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.36 -162.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.2 ptp -58.85 152.15 19.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.55 -161.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.365 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.2 -27.98 47.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.54 -23.51 24.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.3 11.52 29.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -96.84 160.27 14.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.63 ' CG ' HG21 ' A' ' 50' ' ' VAL . 4.1 m-85 -108.13 136.74 47.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -80.89 51.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.257 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.9 148.29 23.8 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.6 tt0 -122.52 95.42 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.732 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -38.13 147.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.5 mt -57.22 -21.26 32.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.16 -20.07 61.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.56 5.96 27.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.508 ' NE2' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -62.99 170.04 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -150.86 109.49 3.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -158.83 179.41 34.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 72' ' ' VAL . 88.3 mt -71.66 163.18 28.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.862 ' CG1' HG11 ' A' ' 77' ' ' VAL . 75.1 t -157.62 124.43 2.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.832 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -74.96 133.38 16.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.813 ' HA ' HG22 ' A' ' 77' ' ' VAL . 28.9 t -71.67 -4.12 25.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 4.6 t30 -92.11 -8.02 46.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.47 ' HB3' HD12 ' A' ' 42' ' ' LEU . 11.0 m-85 -122.94 12.85 9.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.862 HG11 ' CG1' ' A' ' 72' ' ' VAL . 5.1 m -134.5 144.59 34.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.564 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -127.46 106.99 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.618 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.2 m-85 -47.56 123.83 6.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.556 HG12 ' CG ' ' A' ' 51' ' ' TYR . 24.1 m -87.81 165.41 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.501 ' HB2' HG13 ' A' ' 50' ' ' VAL . 91.4 m-70 -133.8 85.06 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.619 ' HG ' HG13 ' A' ' 80' ' ' VAL . 8.6 tp -40.52 114.41 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.553 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 69.4 m -120.65 158.8 26.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.512 1.132 . . . . 0.0 108.3 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.8 p -126.23 110.33 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.507 ' HB1' ' HB3' ' A' ' 42' ' ' LEU . . . -40.32 131.61 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.493 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 19.3 ttt180 -86.54 -25.97 24.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.493 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 32.1 m-85 -154.82 131.99 11.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.4 130.64 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.493 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 11.0 t80 -126.37 154.2 43.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 111.033 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.419 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -148.35 96.73 3.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.76 11.52 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.656 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 2.4 m-85 -91.08 26.9 2.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -110.37 -28.24 8.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.83 -176.03 35.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.135 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.96 -0.07 9.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.552 1.817 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -39.17 116.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -79.25 -3.85 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.664 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -137.14 60.52 28.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.656 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -74.98 -37.14 2.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 3.0 pt-20 -61.71 -30.62 70.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.664 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -56.04 -43.14 77.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.475 ' O ' HD23 ' A' ' 40' ' ' LEU . 39.6 mt-10 -90.24 -177.58 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.658 HD11 ' O ' ' A' ' 68' ' ' GLN . 10.9 mt -129.26 137.16 30.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.0 94.54 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.56 HD21 HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -61.05 170.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.579 ' O ' ' C ' ' A' ' 44' ' ' ALA . 16.8 m -157.6 94.04 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.408 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.579 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -25.05 115.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.514 ' O ' HG23 ' A' ' 21' ' ' VAL . . . 105.28 -48.11 1.0 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' THR . 29.8 mmtt -50.25 162.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 20' ' ' CYS . 36.4 m-85 -125.71 158.19 35.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.597 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -153.19 167.89 27.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 63' ' ' GLU . 52.5 m-85 -118.9 115.38 24.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.67 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -105.9 112.53 39.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.556 ' CG ' HG12 ' A' ' 17' ' ' VAL . 84.0 m-85 -77.76 135.19 37.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.4 175.9 18.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -79.86 -166.79 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.417 ' N ' ' SD ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -44.51 154.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 111.039 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' PHE . 23.7 t0 -87.19 170.31 11.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -46.69 -39.56 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.5 -26.18 28.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.35 -14.56 8.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' ASP . 11.0 m-85 -69.26 164.6 22.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.67 ' HB3' HG21 ' A' ' 50' ' ' VAL . 4.1 m-85 -111.3 132.12 54.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -77.31 60.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.45 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -61.47 155.45 36.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' TYR . 35.1 tt0 -128.71 95.94 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.647 HD13 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -41.64 147.27 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.92 -17.62 17.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -80.88 -26.75 36.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.75 -2.74 11.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.658 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -62.76 122.46 15.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -110.79 116.31 31.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -160.5 -179.97 35.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 72' ' ' VAL . 89.5 mt -70.77 162.43 29.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.918 ' CG1' HG11 ' A' ' 77' ' ' VAL . 77.3 t -157.58 123.86 2.51 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.635 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.4 Cg_endo -75.0 134.18 17.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.814 ' HA ' HG22 ' A' ' 77' ' ' VAL . 25.5 t -73.61 -0.92 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 4.5 t30 -93.69 -9.13 38.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 29.3 m-85 -122.4 6.95 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.918 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.0 m -126.84 147.29 31.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.548 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -128.28 105.95 8.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 54.0 m-85 -48.66 103.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.619 HG13 ' HG ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.679 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 2.5 t -105.09 161.83 4.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.468 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 12.0 m-70 -152.51 101.25 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.617 ' CD2' HG13 ' A' ' 80' ' ' VAL . 5.5 tp -65.35 118.05 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' A' ' 79' ' ' PHE . 53.2 m -118.93 152.59 36.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.262 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 46' ' ' LYS . 4.2 p -120.61 125.03 73.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.92 126.83 19.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.532 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 40.0 ttt180 -85.63 -27.41 25.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 30.7 m-85 -153.71 128.94 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.09 127.26 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -140.58 140.61 35.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.34 116.8 12.14 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.39 6.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.611 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 4.2 m-85 -86.34 31.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.05 -16.53 12.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.2 -174.92 19.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.97 -1.21 10.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -39.43 118.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.86 -5.06 52.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.699 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -137.52 60.33 25.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.611 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.99 -33.24 4.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.772 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.4 pt-20 -62.25 -28.49 69.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.699 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -58.15 -45.63 87.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.423 ' O ' HD23 ' A' ' 40' ' ' LEU . 50.2 mt-10 -83.54 -171.1 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.346 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.914 HD13 HD13 ' A' ' 64' ' ' LEU . 11.7 mt -135.63 141.5 37.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 91.84 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.768 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.782 HD21 HG13 ' A' ' 72' ' ' VAL . 14.0 mt -66.24 153.16 43.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.616 ' O ' ' C ' ' A' ' 44' ' ' ALA . 6.7 m -143.22 94.7 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.616 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -22.13 113.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.95 -42.76 1.84 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.8 mttm -49.88 169.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.494 ' HD1' HG11 ' A' ' 80' ' ' VAL . 63.2 m-85 -130.05 163.54 26.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.474 HD23 ' C ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -162.81 160.25 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.467 ' O ' ' N ' ' A' ' 63' ' ' GLU . 50.8 m-85 -114.9 122.4 46.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 60' ' ' TYR . 1.7 t -97.55 108.06 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.679 ' CE1' ' CG2' ' A' ' 17' ' ' VAL . 75.0 m-85 -87.0 112.77 22.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.68 -107.67 2.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -176.42 -173.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 0.741 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.3 mtm -42.24 148.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -102.59 -174.54 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 7.6 mt-10 -78.17 79.75 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 2.9 m-20 161.72 -37.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.09 49.49 0.41 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -133.45 159.85 39.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.571 ' CD1' HG11 ' A' ' 50' ' ' VAL . 1.8 m-85 -107.22 138.21 43.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' N ' HG13 ' A' ' 50' ' ' VAL . 86.2 mt-10 -82.17 60.27 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.461 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -60.03 156.02 29.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -134.25 101.92 5.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 0.734 . . . . 0.0 110.343 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.914 HD13 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -44.75 148.42 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.596 ' H ' HD12 ' A' ' 65' ' ' LEU . 5.6 mp -57.32 -16.9 9.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.6 -20.84 28.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.73 -27.31 5.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.574 ' HB3' HD22 ' A' ' 64' ' ' LEU . 1.5 tt0 -54.21 115.32 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.509 ' HA ' HD11 ' A' ' 40' ' ' LEU . 3.1 ptp85 -118.41 146.19 44.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -169.58 -161.74 20.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.145 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' ALA . 52.9 mt -81.06 150.13 28.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.782 HG13 HD21 ' A' ' 42' ' ' LEU . 21.5 t -153.08 130.18 5.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.674 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -75.02 131.31 14.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.663 ' HA ' HG22 ' A' ' 77' ' ' VAL . 78.5 p -69.17 -6.28 27.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.416 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 1.1 m-20 -92.29 0.41 57.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 75' ' ' ASN . 5.7 m-85 -132.86 24.46 4.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.663 HG22 ' HA ' ' A' ' 74' ' ' SER . 9.4 m -144.67 160.31 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.5 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -142.57 107.15 4.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.556 ' CE1' ' SG ' ' A' ' 20' ' ' CYS . 3.1 m-85 -49.34 90.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.617 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.3 p . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.657 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.6 t -93.25 159.71 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 26.4 m-70 -148.97 108.72 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.657 ' HG ' HG21 ' A' ' 80' ' ' VAL . 9.0 tp -71.42 125.74 27.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.593 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 85.1 m -126.23 173.06 9.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 21' ' ' VAL . 2.6 p -142.69 105.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -38.91 119.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.59 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 13.4 ttt180 -79.29 -25.71 42.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 31.7 m-85 -154.48 123.44 6.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 t -45.1 136.02 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 27' ' ' ASN . 6.0 t80 -147.57 148.62 31.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.468 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -138.68 119.06 9.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.62 5.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.448 1.762 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.626 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.9 m-85 -86.35 30.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.53 -13.43 12.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.42 -174.16 17.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.95 -0.08 9.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 m-20 -39.43 120.05 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -81.03 -6.09 58.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.495 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -138.48 60.37 20.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.626 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.89 -32.93 5.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 3.1 pt-20 -62.29 -27.51 69.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 37' ' ' GLU . . . -60.86 -45.42 94.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 40' ' ' LEU . 48.0 mt-10 -83.69 -173.85 4.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.747 HD13 HD13 ' A' ' 64' ' ' LEU . 12.7 mt -132.88 143.38 48.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 92.24 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.873 HD11 ' HD2' ' A' ' 73' ' ' PRO . 12.8 mt -64.74 155.59 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 44' ' ' ALA . 68.5 m -144.38 105.12 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.437 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.497 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -33.18 115.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.501 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.38 -48.01 1.01 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.458 ' CG ' ' HB ' ' A' ' 43' ' ' THR . 20.2 mttt -48.39 151.56 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CD2' HG23 ' A' ' 21' ' ' VAL . 54.7 m-85 -115.48 149.03 38.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.66 HD11 HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -141.81 170.29 15.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' GLU . 50.1 m-85 -123.9 121.56 35.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.603 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.6 t -95.29 117.3 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.657 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 21.7 m-85 -95.78 103.66 15.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.82 -131.41 10.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.2 -169.25 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.786 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.35 127.72 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -76.97 169.01 19.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.3 -15.94 18.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -98.43 -16.42 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.31 44.48 3.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -134.12 176.61 8.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.603 ' CD1' HG11 ' A' ' 50' ' ' VAL . 4.8 m-85 -111.02 132.34 54.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -80.39 60.17 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.72 143.13 45.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.564 1.165 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' TYR . 25.5 tt0 -115.73 91.24 3.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 0.778 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.747 HD13 HD13 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -37.85 144.73 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.3 mt -51.75 -23.85 5.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -33.13 59.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 128.53 -4.8 6.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.509 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -57.4 123.04 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.284 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -110.46 110.22 20.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.96 -177.18 25.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.586 1.178 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 72' ' ' VAL . 76.5 mt -75.75 162.28 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.954 ' CG1' HG11 ' A' ' 77' ' ' VAL . 72.6 t -157.64 127.52 3.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.873 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -75.02 134.21 17.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.689 ' HA ' HG22 ' A' ' 77' ' ' VAL . 82.4 p -74.52 -2.29 25.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.416 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -96.33 1.9 52.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 8.0 m-85 -135.05 13.31 3.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.954 HG11 ' CG1' ' A' ' 72' ' ' VAL . 8.2 m -137.79 145.58 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -128.42 129.22 45.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.593 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.9 m-85 -66.6 54.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.657 HG21 ' HG ' ' A' ' 19' ' ' LEU . 2.2 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mttt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.557 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.4 t -102.54 158.98 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 9.1 m-70 -146.89 108.0 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.621 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.622 ' CD2' HG13 ' A' ' 80' ' ' VAL . 6.3 tp -70.72 120.87 16.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.489 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 77.8 m -123.31 156.74 34.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 108.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 46' ' ' LYS . 4.2 p -128.5 117.34 44.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.03 131.74 9.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 41.9 ttt180 -89.16 -27.99 20.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 26.6 m-85 -149.18 129.15 13.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.8 123.68 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -137.13 143.6 42.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.32 118.14 13.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.33 8.34 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.618 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.1 m-85 -87.26 30.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.07 -16.27 13.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.62 -175.82 19.61 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -74.99 -0.81 10.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -39.52 118.47 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.78 -4.84 51.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.727 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -137.59 60.38 25.29 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.618 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.1 Cg_endo -75.0 -34.04 4.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.8 pt-20 -62.03 -28.72 69.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.727 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -58.26 -47.02 84.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.0 -172.26 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.714 HD13 ' HG ' ' A' ' 64' ' ' LEU . 14.4 mt -134.47 143.54 47.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 90.95 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.983 HD11 ' HD2' ' A' ' 73' ' ' PRO . 4.2 mt -61.97 145.53 52.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.7 m -138.6 100.31 4.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -31.43 108.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.513 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 114.09 -45.0 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.9 mttt -46.19 162.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.741 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.408 ' HD1' HG11 ' A' ' 80' ' ' VAL . 80.6 m-85 -124.01 146.07 48.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.439 HD11 HG11 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -147.9 164.14 34.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.575 ' CE1' HD13 ' A' ' 19' ' ' LEU . 63.5 m-85 -122.32 124.17 43.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.622 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.1 t -96.98 116.58 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.557 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 38.9 m-85 -94.08 98.59 11.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.94 171.95 25.38 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.426 1.079 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -70.16 -157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.417 ' HG3' ' HA2' ' A' ' 58' ' ' GLY . 0.8 OUTLIER -63.03 149.53 44.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -76.7 178.17 6.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -52.99 -31.83 43.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.54 -19.25 21.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.417 ' HA2' ' HG3' ' A' ' 54' ' ' MET . . . 116.26 -19.03 13.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.433 1.083 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -58.48 165.74 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 0.745 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.622 ' CD1' HG11 ' A' ' 50' ' ' VAL . 2.2 m-85 -107.47 121.13 44.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.84 59.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.75 148.76 41.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.8 OUTLIER -115.6 111.75 21.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.714 ' HG ' HD13 ' A' ' 40' ' ' LEU . 3.9 mt -52.96 -172.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.1 mt -86.36 -38.88 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -68.56 -22.92 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.78 4.69 9.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.494 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -61.04 120.18 9.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -111.83 104.27 12.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.25 -173.82 13.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.476 ' C ' HG23 ' A' ' 72' ' ' VAL . 82.3 mt -80.17 159.07 26.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.805 HG12 HG11 ' A' ' 77' ' ' VAL . 47.5 t -154.72 129.45 4.91 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.983 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -75.01 133.61 16.78 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.79 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.727 ' HA ' HG22 ' A' ' 77' ' ' VAL . 86.3 p -74.62 -1.93 23.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.03 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.42 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 14.4 m-20 -97.06 1.47 50.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 6.8 m-85 -134.79 14.32 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.805 HG11 HG12 ' A' ' 72' ' ' VAL . 4.4 m -129.64 154.35 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.483 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -135.92 106.17 6.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.489 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 40.2 m-85 -50.02 89.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.622 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.4 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.7 ' CG2' ' CE2' ' A' ' 51' ' ' TYR . 4.9 t -120.85 147.63 24.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.481 ' HB2' HG13 ' A' ' 50' ' ' VAL . 39.3 m-70 -125.89 76.77 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.641 ' CD2' HG13 ' A' ' 80' ' ' VAL . 1.7 tp -44.26 120.64 2.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.548 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 6.5 m -117.49 166.91 11.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 108.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.669 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.5 p -133.66 101.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -39.27 127.88 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -90.39 -32.75 16.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.417 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 28.5 m-85 -138.2 130.09 28.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.14 105.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 53.2 t80 -105.69 138.27 42.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -137.02 108.78 8.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.431 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.01 -33.04 4.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 34.2 m-85 -84.27 27.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -111.86 -29.27 7.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.84 177.88 33.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.0 0.99 8.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 m-20 -34.96 148.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' C ' ' HD3' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -101.21 -11.58 19.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.766 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -135.09 60.26 38.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -75.02 -34.85 3.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -61.51 -27.33 68.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.766 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -62.03 -47.0 86.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.32 -173.51 3.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.666 HD11 ' O ' ' A' ' 68' ' ' GLN . 11.4 mt -134.65 139.1 31.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 18.4 Cg_endo -75.0 90.31 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.787 HD11 HG13 ' A' ' 72' ' ' VAL . 51.5 mt -67.94 154.95 40.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.554 ' O ' ' C ' ' A' ' 44' ' ' ALA . 18.9 m -136.75 99.26 4.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 110.366 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.554 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -27.76 116.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.51 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 104.06 -47.82 1.05 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.48 1.112 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' THR . 22.7 mmtt -51.85 163.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.534 ' HD1' HG11 ' A' ' 80' ' ' VAL . 49.2 m-85 -119.27 159.47 24.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.733 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -154.74 154.02 32.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.4 m-85 -106.08 112.56 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.717 HG21 ' HB3' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -106.59 116.98 51.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 17' ' ' VAL . 69.1 m-85 -86.93 135.55 33.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.5 -168.59 54.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -106.12 -172.93 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.417 ' SD ' ' CZ ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -46.57 145.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -85.88 -178.38 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.09 -23.18 67.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.25 -28.22 20.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.59 36.85 2.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.458 ' CB ' HD22 ' A' ' 71' ' ' LEU . 9.6 m-85 -123.39 164.77 18.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.717 ' HB3' HG21 ' A' ' 50' ' ' VAL . 1.9 m-85 -111.8 128.36 56.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.61 61.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.51 ' HA3' HG21 ' A' ' 72' ' ' VAL . . . -64.94 152.88 50.71 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' TYR . 33.5 tt0 -129.71 89.14 2.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 110.365 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.556 HD13 HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -38.04 150.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.56 -15.36 37.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -82.74 -14.23 54.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.6 -2.84 36.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.666 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.8 tt0 -61.13 119.32 8.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 0.761 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -109.23 129.73 55.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -177.57 -163.97 30.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.476 ' C ' HG23 ' A' ' 72' ' ' VAL . 83.5 mt -82.04 163.86 21.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.895 ' CG1' HG11 ' A' ' 77' ' ' VAL . 96.1 t -155.62 124.07 2.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.628 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.3 Cg_endo -74.98 128.23 11.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.444 1.76 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.877 ' HA ' HG22 ' A' ' 77' ' ' VAL . 76.2 p -68.37 -7.86 35.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.412 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 1.3 t-20 -89.09 -0.1 57.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 4.8 m-85 -133.02 11.62 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.895 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.2 m -130.0 146.01 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.598 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -129.34 106.83 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.548 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.2 m-85 -47.75 92.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.641 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.4 p . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.5 ' CG2' ' CE2' ' A' ' 51' ' ' TYR . 2.0 t -100.27 159.59 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.433 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 15.5 m-70 -142.78 114.13 7.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.634 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.656 ' HG ' HG13 ' A' ' 80' ' ' VAL . 11.7 tp -74.46 115.69 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.557 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 64.3 m -121.54 156.72 32.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.323 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 78' ' ' ASP . 4.7 p -121.88 116.11 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 42' ' ' LEU . . . -40.21 119.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.565 ' NE ' ' CZ ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -69.15 -52.7 25.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.565 ' CZ ' ' NE ' ' A' ' 23' ' ' ARG . 55.2 m-85 -134.86 133.95 40.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 t -42.85 139.61 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.548 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 8.2 t80 -141.44 148.76 40.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.79 92.5 4.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -25.02 12.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.54 1.811 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 15.3 m-85 -85.98 19.21 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -110.48 -20.65 12.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.07 179.82 31.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.02 0.24 9.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 m-20 -38.85 125.86 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.405 ' C ' ' HD3' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -83.48 -11.24 57.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.267 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.693 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -135.07 60.76 42.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.592 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.99 -34.03 4.14 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.484 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -61.68 -26.51 68.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.693 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -67.75 -8.21 33.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.49 ' O ' HD23 ' A' ' 40' ' ' LEU . 39.9 mt-10 -124.67 172.93 8.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.981 HD13 HD13 ' A' ' 64' ' ' LEU . 10.1 mt -123.47 135.6 26.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 84.68 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.898 HD21 HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -51.35 163.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.649 ' O ' ' C ' ' A' ' 44' ' ' ALA . 11.8 m -149.81 86.22 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.423 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.649 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -17.6 112.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.444 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 108.59 -41.96 2.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 111.063 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 3.6 mttt -51.92 159.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.528 ' HD1' HG11 ' A' ' 80' ' ' VAL . 66.8 m-85 -125.69 144.41 50.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.476 ' N ' HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -137.87 -173.79 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 63' ' ' GLU . 73.8 m-85 -137.39 119.61 15.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.617 HG11 ' CD1' ' A' ' 60' ' ' TYR . 1.8 t -94.69 105.82 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.5 ' CE2' ' CG2' ' A' ' 17' ' ' VAL . 35.6 m-85 -80.97 117.05 21.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.32 -125.69 8.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -152.01 -171.99 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 53' ' ' ASP . 7.6 mtm -35.92 129.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -76.02 -176.3 3.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -48.82 -46.14 41.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.92 -20.52 27.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.33 -29.6 6.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -44.53 155.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.617 ' CD1' HG11 ' A' ' 50' ' ' VAL . 7.7 m-85 -100.65 123.15 44.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -76.07 55.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -54.39 137.35 42.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' TYR . 4.1 tt0 -105.42 95.01 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.981 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -40.03 153.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.1 mt -57.96 -21.96 46.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -82.27 -19.25 39.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.29 -4.64 25.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.504 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -54.92 124.3 16.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -108.41 101.33 10.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.88 165.13 26.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.443 ' C ' HG23 ' A' ' 72' ' ' VAL . 43.9 mt -66.25 157.26 31.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.898 HG13 HD21 ' A' ' 42' ' ' LEU . 46.5 t -152.84 126.06 4.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.97 129.07 12.02 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.549 ' HA ' HG22 ' A' ' 77' ' ' VAL . 84.3 p -59.94 -15.12 19.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -84.62 -1.94 56.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.728 ' HB3' HD23 ' A' ' 42' ' ' LEU . 6.4 m-85 -130.18 37.01 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 74' ' ' SER . 15.8 m -156.26 165.08 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.526 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -148.57 105.71 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.557 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 52.8 m-85 -50.59 88.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.656 HG13 ' HG ' ' A' ' 19' ' ' LEU . 1.2 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mttm . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.529 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 2.1 t -109.61 159.73 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.48 ' ND1' ' O ' ' A' ' 17' ' ' VAL . 14.7 m-70 -151.35 105.59 3.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.654 ' CD2' HG13 ' A' ' 80' ' ' VAL . 2.1 tp -74.16 120.65 20.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.501 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 1.6 m -116.06 166.88 11.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.298 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.671 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.5 p -138.22 101.3 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.371 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -33.06 124.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -82.7 -50.82 8.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.473 ' O ' ' CB ' ' A' ' 25' ' ' SER . 62.3 m-85 -126.03 -1.82 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.481 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER 82.93 -179.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.492 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 37.7 t80 178.72 105.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.05 114.36 65.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.415 ' HB2' ' HA ' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.0 -32.58 5.25 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 5.3 m-85 -86.46 34.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -113.23 -28.33 7.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.62 -177.3 31.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.03 0.97 8.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.7 m-20 -36.24 151.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.77 -8.94 15.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.627 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -136.55 60.14 29.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.601 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -75.04 -33.53 4.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.795 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.7 pt-20 -60.46 -27.36 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.627 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -60.77 -40.07 91.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.447 ' O ' HD23 ' A' ' 40' ' ' LEU . 24.8 mt-10 -89.34 -176.15 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.804 HD11 ' O ' ' A' ' 68' ' ' GLN . 10.3 mt -127.98 138.18 32.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 18.3 Cg_endo -74.98 86.49 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.813 HD11 ' HD2' ' A' ' 73' ' ' PRO . 31.3 mt -57.64 149.33 21.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.9 m -134.27 93.81 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.348 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.575 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -25.87 113.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.487 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 108.89 -46.89 1.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.626 ' O ' HG23 ' A' ' 21' ' ' VAL . 10.1 mttt -48.52 176.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.485 ' HA ' ' O ' ' A' ' 20' ' ' CYS . 68.4 m-85 -134.95 148.37 50.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.786 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -149.93 157.67 43.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 63' ' ' GLU . 66.9 m-85 -113.16 131.08 55.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.602 HG11 ' CD1' ' A' ' 60' ' ' TYR . 4.2 t -102.08 116.54 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.529 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 40.5 m-85 -97.19 85.79 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.65 171.31 13.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -80.43 -162.09 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.408 ' N ' ' SD ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -56.45 155.15 7.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.29 176.78 6.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.44 -39.01 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.96 -16.81 32.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.57 43.74 2.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.452 ' CB ' HD22 ' A' ' 71' ' ' LEU . 9.1 m-85 -117.56 167.03 11.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.602 ' CD1' HG11 ' A' ' 50' ' ' VAL . 3.3 m-85 -110.49 128.62 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 50' ' ' VAL . 48.1 mt-10 -73.53 58.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.429 ' HA3' HG21 ' A' ' 72' ' ' VAL . . . -54.52 156.54 7.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 49' ' ' TYR . 39.9 tt0 -131.84 84.23 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.585 HD13 HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -36.73 152.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.74 -18.9 57.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.31 -2.83 56.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.63 1.15 66.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.804 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -62.17 118.41 7.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 0.773 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -106.79 113.2 26.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.464 ' CA ' ' HG ' ' A' ' 40' ' ' LEU . . . -159.68 171.76 36.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.511 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 87.4 mt -61.51 163.59 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.998 ' CG1' HG11 ' A' ' 77' ' ' VAL . 87.8 t -157.67 125.62 2.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.813 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -74.97 134.53 17.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.697 ' HA ' HG22 ' A' ' 77' ' ' VAL . 87.1 p -77.32 10.09 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -105.85 -11.35 16.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 25' ' ' SER . 85.1 m-85 -123.95 16.75 9.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.998 HG11 ' CG1' ' A' ' 72' ' ' VAL . 6.0 m -133.29 142.13 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.539 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -123.43 105.78 10.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -49.49 90.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.654 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.6 p . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mttt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.64 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.6 t -104.99 159.74 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 17' ' ' VAL . 20.9 m-70 -149.94 104.03 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.713 ' CD2' HG13 ' A' ' 80' ' ' VAL . 3.5 tp -70.1 119.62 14.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.604 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 12.2 m -115.51 165.41 13.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.8 p -135.08 100.18 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 42' ' ' LEU . . . -38.77 128.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -86.54 -37.33 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 27.3 m-85 -140.53 129.91 23.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.79 129.97 5.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.972 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.514 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 9.9 t80 -123.85 151.88 42.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.43 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 1.1 m120 -148.42 96.81 3.85 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.402 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.0 -16.78 20.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 1.2 m-85 -95.07 28.16 2.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -108.05 -24.84 11.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.22 -179.35 32.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.06 -0.32 9.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -38.49 119.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.65 -3.07 42.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.499 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -138.68 60.49 19.8 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.639 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.98 -35.08 3.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.41 -21.95 65.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.499 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -60.42 -45.62 92.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.431 ' O ' HD23 ' A' ' 40' ' ' LEU . 22.4 mt-10 -86.35 -178.2 6.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.786 HD11 ' O ' ' A' ' 68' ' ' GLN . 9.1 mt -127.68 135.24 27.17 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 89.52 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.013 HD21 HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -58.77 167.87 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.612 ' O ' ' C ' ' A' ' 44' ' ' ALA . 18.8 m -150.75 95.82 2.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.612 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -22.19 114.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 103.63 -48.63 1.0 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 32.1 mttt -46.79 158.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.518 ' HD1' HG11 ' A' ' 80' ' ' VAL . 64.8 m-85 -117.84 156.4 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.747 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -157.88 153.64 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 63' ' ' GLU . 60.3 m-85 -108.77 131.26 55.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.597 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.8 t -101.56 111.8 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.64 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 34.5 m-85 -93.84 93.98 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.95 -135.15 8.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -151.44 -173.74 4.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.59 121.42 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -162.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.76 -27.04 57.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -88.93 -16.94 30.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.26 43.61 3.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -120.25 171.62 8.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 0.758 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.597 ' CD1' HG11 ' A' ' 50' ' ' VAL . 3.0 m-85 -112.76 129.26 56.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 50' ' ' VAL . 48.4 mt-10 -75.14 60.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.26 157.52 12.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 49' ' ' TYR . 24.1 tt0 -131.63 82.73 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.554 HD13 HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -35.37 146.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.4 mt -57.65 -18.43 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.13 -5.46 58.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.63 -3.06 60.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.786 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -59.58 121.49 11.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -110.8 125.25 53.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -174.96 -179.81 45.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 72' ' ' VAL . 92.6 mt -67.49 164.37 19.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.013 HG13 HD21 ' A' ' 42' ' ' LEU . 70.8 t -158.16 124.82 2.54 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.645 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.3 Cg_endo -74.95 127.01 10.38 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.895 ' HA ' HG22 ' A' ' 77' ' ' VAL . 54.4 p -67.81 -8.33 35.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -87.65 -1.69 58.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 4.7 m-85 -131.01 8.39 4.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.963 HG11 ' CG1' ' A' ' 72' ' ' VAL . 2.7 m -128.73 152.39 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.545 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -135.43 106.8 6.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.604 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.4 m-85 -47.45 92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.713 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.6 p . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.577 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 22.7 m -91.67 -170.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 70.4 m-70 -160.41 99.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.609 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.625 ' HG ' HG13 ' A' ' 80' ' ' VAL . 6.9 tp -58.22 114.44 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.608 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 57.4 m -118.81 162.9 17.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 108.265 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 46' ' ' LYS . 4.0 p -127.68 113.11 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -35.72 118.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.604 ' NE ' ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -67.48 -51.09 55.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.604 ' CZ ' ' NE ' ' A' ' 23' ' ' ARG . 43.0 m-85 -139.8 127.39 21.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' TYR . 0.7 OUTLIER -38.91 120.69 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -135.87 147.69 48.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.35 118.43 8.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.407 ' HB2' ' HA ' ' A' ' 36' ' ' PRO . 18.1 Cg_endo -75.06 -30.99 6.5 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.79 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.61 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 4.0 m-85 -86.25 32.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -111.89 -24.34 10.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.04 -173.55 22.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.059 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.01 0.27 9.11 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -38.42 119.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.73 -5.6 57.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.724 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -137.73 59.88 22.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.61 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.98 -34.52 3.77 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.9 pt-20 -60.96 -28.25 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.724 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -59.0 -46.92 86.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -82.59 -176.04 6.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.647 HD13 ' HG ' ' A' ' 64' ' ' LEU . 12.3 mt -129.42 141.19 40.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 90.95 1.05 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.698 HD21 HG13 ' A' ' 72' ' ' VAL . 10.5 mt -63.48 149.74 45.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.555 ' O ' ' C ' ' A' ' 44' ' ' ALA . 15.7 m -139.53 96.55 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.555 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -27.11 108.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 114.19 -45.57 1.29 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.664 ' O ' HG23 ' A' ' 21' ' ' VAL . 7.1 mttt -46.47 171.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.462 ' HA ' ' O ' ' A' ' 20' ' ' CYS . 72.7 m-85 -132.96 144.47 50.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.654 HD12 ' HA3' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -145.56 160.29 41.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 0.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 63' ' ' GLU . 71.7 m-85 -116.57 126.89 53.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.632 HG11 ' CD1' ' A' ' 60' ' ' TYR . 1.3 t -98.65 103.39 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.574 ' CD1' HG12 ' A' ' 17' ' ' VAL . 4.9 m-85 -69.19 121.15 16.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 18' ' ' HIS . . . 81.54 -118.36 4.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.72 -165.38 2.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 0.757 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.7 mtm -37.29 145.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -90.18 178.77 6.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -62.7 -25.68 68.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.84 -20.73 21.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.98 -18.01 24.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -69.69 166.64 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 0.723 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.632 ' CD1' HG11 ' A' ' 50' ' ' VAL . 2.0 m-85 -103.83 119.76 39.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -69.89 58.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.654 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -58.41 152.93 28.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.9 tm-20 -121.69 115.36 22.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.647 ' HG ' HD13 ' A' ' 40' ' ' LEU . 5.6 mt -54.51 -172.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.1 mt -85.83 -40.48 15.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.1 -7.15 47.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.21 -0.74 37.86 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.509 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -56.95 121.41 9.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 0.804 . . . . 0.0 110.302 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -108.42 150.32 27.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 174.76 -175.63 46.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 38' ' ' ALA . 71.1 mt -83.98 154.95 23.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.698 HG13 HD21 ' A' ' 42' ' ' LEU . 30.6 t -151.46 132.4 7.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.698 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.2 Cg_endo -74.97 133.78 17.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 40.0 t -70.48 -2.92 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -97.09 1.77 50.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.559 ' O ' HD13 ' A' ' 42' ' ' LEU . 5.7 m-85 -137.53 39.41 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.492 HG11 ' CG1' ' A' ' 72' ' ' VAL . 10.8 m -154.64 151.35 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.506 ' HB3' HG12 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -135.7 107.61 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.608 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 57.5 m-85 -52.28 86.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.625 HG13 ' HG ' ' A' ' 19' ' ' LEU . 2.1 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.699 ' CG2' ' CE2' ' A' ' 51' ' ' TYR . 3.5 t -106.76 147.23 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.484 ' HB2' HG13 ' A' ' 50' ' ' VAL . 96.8 m-70 -129.67 82.97 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.573 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.609 ' HG ' HG13 ' A' ' 80' ' ' VAL . 5.4 tp -52.66 122.75 9.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.632 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 57.1 m -122.26 159.64 26.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.326 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 78' ' ' ASP . 4.9 p -126.88 109.9 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 42' ' ' LEU . . . -39.86 134.36 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HB3' ' CD2' ' A' ' 24' ' ' TYR . 34.3 ttt180 -92.4 -29.75 16.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 23' ' ' ARG . 38.3 m-85 -146.32 130.27 17.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -45.58 137.24 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.512 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 10.4 t80 -134.04 153.64 51.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.432 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -150.12 95.69 3.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.16 13.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.621 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 2.0 m-85 -90.86 26.09 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.59 -14.0 14.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.39 -178.37 21.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.0 -2.57 12.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -39.47 118.27 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.89 -2.63 40.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.751 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -138.7 60.18 18.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.621 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.1 Cg_endo -75.0 -33.04 4.88 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 3.1 pt-20 -63.72 -27.25 69.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.751 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -60.11 -15.31 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -120.03 175.71 5.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.838 HD13 ' HG ' ' A' ' 64' ' ' LEU . 10.9 mt -123.39 136.85 27.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -75.03 88.12 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.69 HD21 ' HD2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -55.66 165.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.639 ' O ' ' C ' ' A' ' 44' ' ' ALA . 5.1 m -154.39 88.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.639 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -17.58 108.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.488 ' O ' HG23 ' A' ' 21' ' ' VAL . . . 110.86 -43.52 1.7 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.48 ' CG ' ' HB ' ' A' ' 43' ' ' THR . 15.6 mttt -46.68 162.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.418 ' HB3' HD11 ' A' ' 19' ' ' LEU . 79.5 m-85 -125.6 147.03 49.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.728 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -149.5 163.17 38.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.495 ' CE1' HD13 ' A' ' 19' ' ' LEU . 64.4 m-85 -115.87 114.3 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.666 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.2 p -104.25 121.42 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.699 ' CE2' ' CG2' ' A' ' 17' ' ' VAL . 51.8 m-85 -94.06 145.48 24.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.02 -178.01 22.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -80.91 -154.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.53 150.5 47.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -75.45 173.16 11.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -48.25 -33.78 9.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -93.59 -22.53 18.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.38 -25.97 5.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 71' ' ' LEU . 8.3 m-85 -51.11 155.24 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.666 ' HB3' HG21 ' A' ' 50' ' ' VAL . 2.0 m-85 -105.99 126.83 52.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.42 62.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' TYR . . . -66.1 153.34 51.85 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.1 tm-20 -125.26 116.03 21.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.261 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.838 ' HG ' HD13 ' A' ' 40' ' ' LEU . 5.4 mt -54.92 -171.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.2 mt -94.32 -6.88 43.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 109.243 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -101.89 -6.17 23.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.7 4.85 42.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.487 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -64.38 120.37 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 0.733 . . . . 0.0 110.307 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -107.26 98.46 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.57 165.78 24.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 59' ' ' PHE . 37.4 mt -63.91 162.65 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.963 HG12 HG11 ' A' ' 77' ' ' VAL . 81.1 t -155.76 122.71 2.7 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.765 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.4 Cg_endo -75.0 129.77 12.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.838 ' HA ' HG22 ' A' ' 77' ' ' VAL . 32.4 t -69.2 -7.35 35.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -89.91 -1.76 58.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 5.1 m-85 -131.67 11.65 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.963 HG11 HG12 ' A' ' 72' ' ' VAL . 2.9 m -127.69 153.35 36.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.579 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -135.23 107.36 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.632 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.9 m-85 -47.63 110.15 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.609 HG13 ' HG ' ' A' ' 19' ' ' LEU . 1.1 p . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 54.65 85.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 109.974 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 t -82.43 -53.54 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.92 -156.63 17.49 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.128 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m 71.79 -68.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.006 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.32 159.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.045 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.48 -55.21 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -164.1 150.3 11.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 0.746 . . . . 0.0 110.407 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m -51.13 105.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -82.17 -68.18 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -132.36 139.42 48.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.42 ' CZ ' ' O ' ' A' ' 54' ' ' MET . 14.7 mtt-85 -93.74 43.65 1.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -170.54 50.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 t 174.13 -33.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 16' ' ' LYS . . . -62.92 169.23 17.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -40.09 154.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 0.801 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.417 ' HB ' ' CD1' ' A' ' 51' ' ' TYR . 5.5 p -119.12 153.25 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.422 ' HB2' HG13 ' A' ' 50' ' ' VAL . 88.2 m-70 -120.75 140.39 51.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.634 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.648 ' CD2' HG13 ' A' ' 80' ' ' VAL . 1.3 tp -97.65 118.44 34.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.498 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 66.7 m -118.77 158.9 24.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.581 ' O ' HG13 ' A' ' 21' ' ' VAL . 4.4 p -124.5 108.78 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -35.86 123.41 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.488 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 39.9 ttt180 -83.53 -27.74 29.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.065 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 31.5 m-85 -150.8 124.95 9.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.1 p -44.19 121.15 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 27' ' ' ASN . 22.6 t80 -126.93 152.02 47.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -146.8 113.87 4.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -30.5 7.06 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.449 1.762 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.62 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.6 m-85 -87.21 30.95 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.97 -15.75 12.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.69 -175.35 19.07 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.03 -0.71 10.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.771 . . . . 0.0 111.005 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -39.71 118.74 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -78.9 -5.48 53.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.313 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.717 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -136.93 60.58 30.09 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.62 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.5 Cg_endo -74.98 -34.03 4.16 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.517 1.799 . . . . 0.0 111.047 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.0 pt-20 -61.99 -28.59 69.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.717 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -57.47 -48.53 78.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.448 ' O ' HD23 ' A' ' 40' ' ' LEU . 40.7 mt-10 -81.24 -172.53 3.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 62' ' ' GLY . 12.9 mt -134.59 141.48 39.02 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -75.0 94.11 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.774 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.852 HD11 ' HD2' ' A' ' 73' ' ' PRO . 12.6 mt -69.81 146.63 51.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.493 ' O ' ' C ' ' A' ' 44' ' ' ALA . 44.0 m -131.55 104.29 6.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.383 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -33.78 117.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.53 -43.73 1.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' THR . 1.4 mtmt -58.9 163.91 3.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.563 ' HD1' HG11 ' A' ' 80' ' ' VAL . 25.1 m-85 -123.1 164.4 18.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.746 HD11 HG11 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -153.82 162.69 41.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' GLU . 49.4 m-85 -115.28 107.82 15.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.639 HG21 ' CD1' ' A' ' 60' ' ' TYR . 1.5 p -98.03 113.88 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.248 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.417 ' CD1' ' HB ' ' A' ' 17' ' ' VAL . 92.9 m-85 -80.03 142.1 35.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 75.18 -130.9 11.71 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.496 1.123 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.85 -167.24 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.798 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.42 ' O ' ' CZ ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -37.48 142.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 111.026 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.4 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 16.1 t70 -91.66 174.05 7.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.416 1.072 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.74 -26.71 67.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.343 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -88.18 -31.63 19.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 112.55 36.92 1.51 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -126.63 166.49 17.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.987 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.639 ' CD1' HG21 ' A' ' 50' ' ' VAL . 3.7 m-85 -110.32 128.32 55.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -75.27 56.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.579 ' O ' HD12 ' A' ' 40' ' ' LEU . . . -60.67 141.86 48.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' TYR . 33.8 tt0 -113.24 97.29 6.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.736 . . . . 0.0 110.258 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.552 HD13 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -41.47 153.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.27 -17.26 62.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -84.29 -11.82 55.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.73 -3.11 36.23 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 111.038 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.522 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -60.82 123.22 16.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 0.778 . . . . 0.0 110.283 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -112.39 121.94 46.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -168.67 -177.84 39.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 72' ' ' VAL . 82.6 mt -70.74 163.27 27.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 0.738 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.901 ' CG1' HG11 ' A' ' 77' ' ' VAL . 70.6 t -158.06 125.06 2.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.852 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -75.02 130.48 13.29 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.827 ' HA ' HG22 ' A' ' 77' ' ' VAL . 32.5 t -70.52 -6.59 37.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.96 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 1.2 t30 -90.43 -2.98 57.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -127.97 8.65 6.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.901 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.3 m -129.25 144.62 37.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -123.99 107.41 11.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.498 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 33.8 m-85 -50.18 88.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.648 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.6 p -69.06 166.61 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.498 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 55.0 mt-30 -139.11 135.17 33.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -63.94 -64.79 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -149.03 89.21 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' HG2' ' NE2' ' A' ' 81' ' ' GLN . 0.2 OUTLIER -42.15 -65.95 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.28 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.65 106.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.58 -55.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -101.97 170.22 8.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.99 -2.22 46.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.0 t 64.84 132.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.6 t -119.44 -38.09 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 t -112.87 155.09 25.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -109.56 177.55 20.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 176.75 9.52 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.3 p -117.69 161.46 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.989 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.6 p -71.73 141.01 49.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.96 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.431 1.082 . . . . 0.0 110.98 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 t -85.16 -58.44 2.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 110.02 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -166.15 110.3 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.98 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.11 -176.01 41.85 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -126.1 -58.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 0.744 . . . . 0.0 109.997 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.51 127.56 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.77 97.63 0.86 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -143.53 138.17 28.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 0.722 . . . . 0.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 p -92.79 117.47 30.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.995 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -85.01 -62.29 1.57 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -133.74 139.99 46.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -48.9 132.0 18.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 43.84 51.31 6.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.19 21.14 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -83.83 -163.53 35.46 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.496 1.123 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -90.67 140.59 29.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.265 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.646 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 2.1 t -82.35 129.87 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.524 ' HB2' HG13 ' A' ' 50' ' ' VAL . 23.5 m-70 -119.25 108.64 14.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.587 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.655 HD23 ' O ' ' A' ' 81' ' ' GLN . 6.0 tp -68.14 119.26 12.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.619 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 83.0 m -123.08 154.85 38.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.289 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.515 HG23 ' CD1' ' A' ' 47' ' ' TYR . 3.1 p -120.55 114.77 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -43.5 130.41 5.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.488 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 4.4 ttt180 -88.64 -27.76 21.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 30.2 m-85 -151.0 128.49 11.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 111.002 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.55 118.82 2.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.035 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -128.15 146.11 50.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.07 116.26 8.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.41 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -74.99 -30.74 6.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.604 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 46.2 m-85 -84.67 29.2 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 30' ' ' ASP . 4.6 t0 -110.7 -28.01 8.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.25 -178.84 28.78 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.98 0.39 8.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.439 1.757 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -37.27 121.91 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.07 -5.0 55.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.648 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -138.63 59.69 17.48 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.604 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -75.0 -34.64 3.66 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.451 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 1.7 pt-20 -61.3 -30.64 70.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.648 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -57.17 -47.76 80.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -80.06 -174.45 4.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.257 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.692 HD13 HD13 ' A' ' 64' ' ' LEU . 12.8 mt -133.82 142.69 44.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 94.87 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.997 HD11 ' HD2' ' A' ' 73' ' ' PRO . 9.9 mt -68.2 152.52 45.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 44' ' ' ALA . 27.7 m -140.93 103.69 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.72 116.49 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.52 -46.64 1.14 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -53.73 166.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.515 ' CD1' HG23 ' A' ' 21' ' ' VAL . 33.1 m-85 -128.54 163.99 23.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.723 HD11 HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -157.82 161.85 38.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' HB3' HG13 ' A' ' 17' ' ' VAL . 48.9 m-85 -112.35 108.97 18.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.614 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.4 p -100.04 117.65 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.646 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 24.1 m-85 -83.24 143.01 30.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.499 ' O ' ' CD2' ' A' ' 18' ' ' HIS . . . 67.56 -153.89 52.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.543 1.152 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -119.0 -174.32 2.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.312 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.0 mtm -44.54 146.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -85.21 -164.29 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.54 -26.62 55.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.2 OUTLIER -86.79 -27.41 23.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 104.67 45.7 1.38 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.488 ' CB ' HD22 ' A' ' 71' ' ' LEU . 7.0 m-85 -132.14 161.92 32.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 110.97 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.614 ' HB3' HG21 ' A' ' 50' ' ' VAL . 5.0 m-85 -106.55 132.23 52.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -78.9 52.55 1.26 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.551 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -53.76 145.64 23.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' TYR . 44.0 tt0 -117.56 94.69 4.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 0.755 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.692 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -39.74 146.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.0 mt -55.43 -22.54 20.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -77.11 -28.88 54.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 124.88 -5.4 8.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.426 1.079 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.484 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.2 tt0 -57.53 121.8 11.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -111.04 111.19 22.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -155.42 -173.91 24.68 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 72' ' ' VAL . 93.8 mt -75.74 163.23 27.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.758 ' CG1' HG11 ' A' ' 77' ' ' VAL . 73.0 t -157.23 122.98 2.43 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.997 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -74.97 127.41 10.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.78 ' HA ' HG22 ' A' ' 77' ' ' VAL . 31.1 t -66.68 -10.57 47.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.971 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -86.79 -0.09 55.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CB ' HD12 ' A' ' 42' ' ' LEU . 6.9 m-85 -131.29 16.98 4.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.78 HG22 ' HA ' ' A' ' 74' ' ' SER . 4.9 m -140.18 150.8 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -129.07 107.55 9.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.619 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.9 m-85 -47.89 91.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.626 HG13 ' HG ' ' A' ' 19' ' ' LEU . 1.1 p -73.39 164.63 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.655 ' O ' HD23 ' A' ' 19' ' ' LEU . 3.2 pt20 -75.45 -144.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.535 ' CB ' ' O ' ' A' ' 81' ' ' GLN . 1.6 t0 84.39 -45.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -160.12 91.37 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.09 -60.61 2.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.6 p -167.69 140.92 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.984 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.24 -54.85 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 mt -97.32 152.36 18.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.24 -179.51 5.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.98 147.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -163.74 145.76 9.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.387 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 88.2 p -160.78 157.59 27.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.15 96.28 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.15 27.7 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 92.5 p -171.21 170.25 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -58.67 6.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.499 1.124 . . . . 0.0 110.971 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -81.54 100.23 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 109.995 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.14 135.39 2.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.62 156.08 21.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 p -116.18 148.12 40.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.97 144.32 6.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.38 172.49 41.68 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.5 p -79.78 95.24 5.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 110.438 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 p 46.51 86.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -62.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -133.56 139.64 46.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -93.14 38.86 1.04 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.42 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 28.8 p90 -175.96 58.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.4 t -173.96 -38.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' LYS . . . -55.81 166.67 3.57 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -39.69 151.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 49' ' ' TYR . 4.2 p -121.07 163.65 18.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.438 ' HB2' HG13 ' A' ' 50' ' ' VAL . 81.9 m-70 -136.79 136.1 38.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.607 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.789 ' CD2' HG13 ' A' ' 80' ' ' VAL . 2.1 tp -92.17 118.56 30.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.587 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 35.3 m -118.75 149.22 41.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 108.273 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.7 p -114.14 110.0 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -38.46 127.56 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.469 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 15.1 ttt180 -86.15 -30.54 22.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.469 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 27.2 m-85 -148.89 133.62 17.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.75 119.96 5.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.045 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 57.8 t80 -128.59 141.96 51.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.74 115.12 12.25 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -29.65 8.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.615 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.1 m-85 -87.63 31.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.94 -18.14 12.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.14 -176.29 20.9 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 -0.86 10.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -39.38 120.84 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -80.71 -4.43 54.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.269 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.575 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -137.98 60.44 23.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.615 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -74.99 -33.11 4.83 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.782 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.9 pt-20 -62.37 -28.9 70.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.575 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -57.31 -47.09 82.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' O ' HD23 ' A' ' 40' ' ' LEU . 46.3 mt-10 -82.86 -172.98 4.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.78 HD13 HD13 ' A' ' 64' ' ' LEU . 13.4 mt -134.57 142.94 44.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 18.2 Cg_endo -75.06 92.29 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.025 HD11 ' HD2' ' A' ' 73' ' ' PRO . 8.8 mt -64.99 148.56 51.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 23.7 m -136.57 103.78 5.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.379 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.75 118.06 0.4 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.506 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 104.08 -43.82 1.6 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 110.96 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 43' ' ' THR . 15.3 mmtt -57.72 161.75 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.613 ' HD2' HG11 ' A' ' 80' ' ' VAL . 21.6 m-85 -119.67 171.52 8.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.941 HD11 HG11 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -164.83 156.97 15.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' A' ' 63' ' ' GLU . 41.3 m-85 -110.06 109.66 20.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.598 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.4 p -97.26 109.37 23.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -76.48 144.94 39.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.82 -137.93 37.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -129.86 -175.25 3.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.407 ' CE ' ' CZ ' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -44.21 159.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.996 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -95.9 173.23 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.71 -12.79 50.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -92.34 -30.95 15.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.28 37.27 1.66 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.424 ' HB2' HD22 ' A' ' 71' ' ' LEU . 23.2 m-85 -132.7 164.57 26.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 0.793 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.598 ' HB3' HG21 ' A' ' 50' ' ' VAL . 2.7 m-85 -104.96 127.4 52.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -69.99 60.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.682 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -63.99 143.14 47.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 49' ' ' TYR . 34.8 tt0 -115.94 96.85 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.78 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -41.79 148.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.4 mt -58.09 -17.81 20.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.45 -15.58 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.21 -3.73 31.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.534 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.4 tt0 -60.24 121.2 11.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -107.9 113.43 26.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -158.59 179.98 33.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.458 ' C ' HG23 ' A' ' 72' ' ' VAL . 69.5 mt -70.07 160.04 32.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.941 HG11 HD11 ' A' ' 48' ' ' LEU . 61.7 t -154.08 119.99 2.78 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 1.025 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -75.0 115.23 4.22 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 110.976 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.831 ' HA ' HG22 ' A' ' 77' ' ' VAL . 59.1 p -54.36 -20.73 7.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -72.64 -5.17 35.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.581 ' CB ' HD12 ' A' ' 42' ' ' LEU . 5.1 m-85 -129.28 19.11 5.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.831 HG22 ' HA ' ' A' ' 74' ' ' SER . 1.4 m -137.27 153.81 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.4 OUTLIER -134.67 106.54 7.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.587 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.1 m-85 -47.02 92.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.789 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.1 p -79.52 167.98 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.544 ' N ' HG22 ' A' ' 80' ' ' VAL . 2.6 mm-40 -120.64 -127.01 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 84' ' ' GLU . 15.1 t0 69.42 -65.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -70.28 62.26 0.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 82' ' ' ASP . 0.0 OUTLIER -61.75 -37.58 84.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.1 m -91.34 54.98 2.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.586 1.179 . . . . 0.0 109.959 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.47 -26.33 32.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -46.68 170.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.31 159.22 42.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.2 m -76.86 113.23 14.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.006 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -176.75 -42.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 m -120.75 167.35 12.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.961 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 166.03 92.57 0.09 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.467 1.104 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -49.62 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.485 1.782 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 t -168.52 -57.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.023 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.53 145.94 16.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.033 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.85 139.02 6.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.789 . . . . 0.0 110.025 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -169.13 168.94 9.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.947 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.38 -145.77 5.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.51 160.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 0.758 . . . . 0.0 109.986 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.7 -61.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.959 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.87 179.67 1.27 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.449 1.093 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -69.94 -14.06 62.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 m 179.0 120.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.023 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -106.14 -62.28 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -132.35 -178.77 5.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.2 mmt-85 -121.44 39.49 3.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.591 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 19.7 p90 -175.52 58.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.7 t -165.16 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.022 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.07 168.6 0.67 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.01 153.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 49' ' ' TYR . 4.6 p -122.96 147.59 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.436 ' HB2' HG13 ' A' ' 50' ' ' VAL . 67.4 m-70 -115.33 137.21 52.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.568 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.6 tp -95.24 109.24 21.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.563 ' SG ' ' CE1' ' A' ' 79' ' ' PHE . 33.8 m -109.27 161.46 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 108.329 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.678 HG23 ' CD1' ' A' ' 47' ' ' TYR . 5.3 p -126.01 108.3 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -36.12 123.27 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 20.5 ttt180 -83.82 -31.05 26.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.439 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 26.9 m-85 -146.63 128.52 15.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.3 p -49.22 119.46 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -130.04 142.69 50.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.42 116.75 11.1 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.42 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.4 Cg_endo -74.96 -31.36 6.34 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 45.5 m-85 -84.65 29.51 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -111.82 -27.12 8.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -101.62 -178.99 28.29 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.98 -0.13 9.59 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.8 m-20 -37.47 121.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.15 -6.18 55.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.706 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -137.52 60.3 25.24 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.592 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.95 -35.36 3.23 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 1.5 pt-20 -60.49 -31.1 70.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.706 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -56.02 -48.33 76.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -80.5 -175.22 5.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.599 HD13 HD13 ' A' ' 64' ' ' LEU . 13.1 mt -132.72 142.85 46.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 95.44 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.533 1.807 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.862 HD11 ' HD2' ' A' ' 73' ' ' PRO . 11.8 mt -71.47 145.46 49.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.49 ' O ' ' C ' ' A' ' 44' ' ' ALA . 20.4 m -130.27 103.51 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.422 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.49 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.02 117.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.17 -43.51 1.65 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' THR . 36.7 mmtt -58.55 162.55 3.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.678 ' CD1' HG23 ' A' ' 21' ' ' VAL . 6.3 m-85 -122.59 156.22 34.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.797 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -145.16 163.95 32.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' GLU . 42.4 m-85 -116.08 107.69 15.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.607 HG21 ' CD1' ' A' ' 60' ' ' TYR . 1.5 p -97.18 112.33 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -78.85 140.03 38.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.75 178.5 7.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.112 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -81.44 -173.03 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.805 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.454 ' N ' ' SD ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -40.86 156.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.24 -175.17 5.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -61.6 -34.31 75.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.02 -28.17 20.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.3 -8.19 7.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -73.68 163.68 27.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.756 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.607 ' CD1' HG21 ' A' ' 50' ' ' VAL . 5.2 m-85 -108.81 131.1 55.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.998 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -76.15 52.85 0.76 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.695 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -55.56 142.31 37.28 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 49' ' ' TYR . 41.5 tt0 -115.43 99.03 7.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.77 . . . . 0.0 110.277 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.599 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -40.16 153.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 25.3 mt -63.8 -14.81 55.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -86.71 -19.77 28.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.84 -8.78 14.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.527 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -55.63 123.4 13.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 110.278 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -112.29 123.53 50.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.44 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -168.41 -174.8 37.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 72' ' ' VAL . 84.5 mt -73.89 162.43 29.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.839 ' CG1' HG11 ' A' ' 77' ' ' VAL . 69.7 t -157.31 124.47 2.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.862 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -74.99 130.82 13.63 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.443 1.76 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.764 ' HA ' HG22 ' A' ' 77' ' ' VAL . 60.6 p -69.51 -7.37 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.37 0.84 57.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -132.3 13.74 4.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.839 HG11 ' CG1' ' A' ' 72' ' ' VAL . 4.4 m -135.27 138.12 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.513 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -116.62 107.36 14.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.563 ' CE1' ' SG ' ' A' ' 20' ' ' CYS . 2.3 m-85 -50.61 110.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.607 HG12 ' H ' ' A' ' 81' ' ' GLN . 2.2 t -71.36 -142.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.607 ' H ' HG12 ' A' ' 80' ' ' VAL . 3.1 pt20 -137.06 -110.55 0.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 110.262 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.422 ' CB ' ' O ' ' A' ' 81' ' ' GLN . 0.3 OUTLIER 76.95 -57.65 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.404 ' N ' ' OD1' ' A' ' 83' ' ' ASN . 10.5 p-10 -175.14 93.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.74 -64.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 36.9 t -178.18 137.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -51.43 38.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.3 mt -112.64 153.78 27.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -173.8 172.76 3.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.06 137.26 32.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.6 t -169.11 147.2 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.7 p -47.64 129.35 13.69 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 110.026 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -73.01 -88.74 0.16 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.536 1.148 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 160.6 40.0 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.21 164.4 20.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.8 p -178.37 121.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.22 100.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.97 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -139.93 -58.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.84 -163.26 28.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.54 108.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.752 . . . . 0.0 109.986 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 p -125.24 151.92 45.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.031 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.45 -60.32 0.95 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.483 1.114 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.2 p -79.17 97.98 6.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 110.419 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -40.94 111.29 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -40.45 -67.1 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -133.89 140.61 46.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.94 60.46 5.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 179.27 -36.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.64 24.13 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.71 165.19 49.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.11 . . . . 0.0 110.976 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -49.12 170.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.787 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.459 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 1.7 t -101.54 155.86 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.459 ' ND1' ' O ' ' A' ' 17' ' ' VAL . 18.0 m-70 -151.52 113.09 4.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.6 ' CD2' HG13 ' A' ' 80' ' ' VAL . 6.1 tp -79.09 117.66 20.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.608 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 51.7 m -121.03 148.43 44.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 45' ' ' GLY . 4.5 p -118.18 118.87 59.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.37 129.96 13.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.427 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 41.0 ttt180 -88.94 -28.72 20.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.427 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 26.9 m-85 -148.96 129.56 14.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.76 121.71 6.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -133.55 144.71 49.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.99 118.44 11.12 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -30.57 6.99 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.445 1.761 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.619 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 4.0 m-85 -87.71 34.15 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -113.08 -26.99 8.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.68 -179.18 30.82 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.99 0.67 8.62 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.442 1.759 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.453 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.7 m-20 -36.6 151.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.44 -6.86 16.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.712 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -136.91 59.93 26.2 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.619 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -75.0 -33.48 4.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.532 1.806 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.1 pt-20 -62.09 -28.55 69.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.712 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -58.51 -46.64 86.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.434 ' O ' HD23 ' A' ' 40' ' ' LEU . 46.8 mt-10 -82.93 -172.19 3.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.63 HD13 HD13 ' A' ' 64' ' ' LEU . 13.6 mt -135.08 143.4 45.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.53 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.47 1.774 . . . . 0.0 110.98 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.959 HD11 ' HD2' ' A' ' 73' ' ' PRO . 8.4 mt -65.21 149.43 49.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.504 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.6 m -140.3 103.46 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.504 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -32.46 114.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.353 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 107.07 -44.08 1.56 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' THR . 8.9 mttt -56.33 148.25 19.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 0.788 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.554 ' HD1' HG11 ' A' ' 80' ' ' VAL . 50.2 m-85 -105.8 170.78 7.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.656 HD11 HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -165.08 158.13 16.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 63' ' ' GLU . 59.1 m-85 -115.19 122.13 45.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.614 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.5 t -96.5 113.28 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.425 ' CE1' HG22 ' A' ' 17' ' ' VAL . 36.7 m-85 -87.0 87.51 7.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.3 -176.83 16.9 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.493 ' HB3' ' HE2' ' A' ' 54' ' ' MET . 8.7 t0 -83.91 -170.25 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.797 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.493 ' HE2' ' HB3' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -60.92 157.73 14.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.157 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.78 173.11 9.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -56.11 -27.86 55.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -89.86 -19.09 25.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.8 25.91 7.82 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -102.67 160.03 14.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 0.742 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.614 ' CD1' HG11 ' A' ' 50' ' ' VAL . 4.0 m-85 -109.96 132.2 54.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.414 ' N ' HG13 ' A' ' 50' ' ' VAL . 61.2 mt-10 -79.4 61.0 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.84 144.27 48.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 49' ' ' TYR . 21.4 tt0 -115.19 89.55 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.757 . . . . 0.0 110.33 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.63 HD13 HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -39.97 145.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.357 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.615 ' H ' HD12 ' A' ' 65' ' ' LEU . 5.5 mp -57.3 -17.88 14.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -82.92 -6.57 59.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.42 6.29 57.59 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.482 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -70.81 121.95 18.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 110.295 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -111.57 115.22 28.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -161.04 -178.76 35.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.439 ' C ' HG23 ' A' ' 72' ' ' VAL . 83.7 mt -73.4 158.98 33.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.876 ' CG1' HG11 ' A' ' 77' ' ' VAL . 97.4 t -154.42 125.21 3.47 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.959 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.5 Cg_endo -74.98 132.02 14.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.782 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.823 ' HA ' HG22 ' A' ' 77' ' ' VAL . 78.2 p -71.5 -4.37 26.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -91.77 -1.69 57.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.492 ' CB ' HD12 ' A' ' 42' ' ' LEU . 7.6 m-85 -130.37 9.16 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.876 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.6 m -129.21 156.65 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.478 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -136.31 108.71 7.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.359 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.608 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.6 m-85 -50.97 88.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.6 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.5 p -70.15 165.97 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.498 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 32.4 mt-30 -137.21 135.19 37.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.78 -77.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.88 95.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 58.66 13.79 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.5 t -62.13 -151.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -35.82 75.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.609 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -91.87 170.92 9.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.253 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 87' ' ' LEU . . . 168.63 -177.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -114.48 95.47 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 t -159.08 145.12 16.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.6 m -54.08 134.85 43.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.33 -86.27 1.81 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 131.71 14.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.0 p -60.71 156.29 17.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.1 t -170.13 105.11 0.31 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 73.01 -68.08 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 109.966 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 52.7 91.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.68 102.15 0.16 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.35 94.23 2.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.769 . . . . 0.0 110.002 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 m -50.54 158.14 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.04 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.74 -76.99 0.22 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.5 p -74.4 101.18 4.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 0.761 . . . . 0.0 110.446 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.1 p -63.47 124.51 21.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.955 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -95.56 -62.17 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -115.19 -174.45 2.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -126.05 18.4 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -163.79 35.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.8 20.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.035 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.67 -166.86 33.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 158.2 35.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 0.755 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.534 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.9 t -105.67 161.47 5.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 8.8 m-70 -147.41 113.32 5.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.58 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.592 ' CD2' HG13 ' A' ' 80' ' ' VAL . 6.2 tp -76.86 119.3 20.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.581 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 62.5 m -122.76 148.91 44.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.347 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 78' ' ' ASP . 3.8 p -118.08 120.36 64.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.494 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -51.34 137.12 23.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.522 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 25.6 ttt180 -93.34 -31.84 14.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.522 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 30.6 m-85 -148.25 130.57 15.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.42 123.72 4.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.482 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 10.7 t80 -117.82 153.06 34.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.439 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -147.43 97.65 4.03 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -19.02 18.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.55 1.816 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.632 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 1.8 m-85 -97.39 30.47 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -108.56 -30.03 8.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.07 -177.57 33.31 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.03 0.83 8.44 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.532 1.807 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.8 m-20 -37.06 117.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -77.12 -2.4 34.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.48 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -137.19 60.74 29.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.632 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.99 -41.46 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -60.88 -24.17 65.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 71' ' ' LEU . . . -58.71 -48.86 79.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.466 ' O ' HD23 ' A' ' 40' ' ' LEU . 33.8 mt-10 -83.99 -174.81 5.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.678 HD13 HD13 ' A' ' 64' ' ' LEU . 10.8 mt -131.78 136.17 27.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 91.82 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.852 HD21 HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -60.67 177.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.65 ' O ' ' C ' ' A' ' 44' ' ' ALA . 6.1 m -160.79 89.81 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.65 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -17.81 115.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.453 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 103.29 -42.02 1.99 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 6.6 mttm -51.96 159.34 0.88 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.764 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.553 ' HD1' HG11 ' A' ' 80' ' ' VAL . 54.6 m-85 -123.59 148.67 46.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.763 HD11 HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -144.42 165.78 26.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 63' ' ' GLU . 60.6 m-85 -118.82 122.18 41.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.612 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.1 t -98.38 113.57 33.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 25.5 m-85 -89.49 98.49 11.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.22 -169.47 13.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -95.55 -172.5 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.434 ' N ' ' SD ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -50.09 158.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.4 172.3 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -57.43 -27.17 62.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -89.55 -17.85 27.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 97.74 27.87 8.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -110.32 168.2 9.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.612 ' CD1' HG11 ' A' ' 50' ' ' VAL . 3.2 m-85 -111.14 125.73 54.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -76.02 62.9 1.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.61 150.07 42.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 49' ' ' TYR . 29.8 tt0 -118.02 92.36 3.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.678 HD13 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -39.77 148.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.7 mt -55.88 -24.1 35.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -77.25 -22.82 51.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.51 1.81 21.46 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.576 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.5 tt0 -63.36 124.23 20.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 0.741 . . . . 0.0 110.298 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -109.85 111.29 22.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -154.82 176.87 32.4 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 72' ' ' VAL . 74.6 mt -70.3 162.22 28.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.79 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.888 ' CG1' HG11 ' A' ' 77' ' ' VAL . 76.0 t -157.39 126.93 3.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.629 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.4 Cg_endo -74.96 131.5 14.41 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.461 1.769 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.827 ' HA ' HG22 ' A' ' 77' ' ' VAL . 59.5 p -71.78 -4.16 26.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 4.7 t30 -91.77 -9.77 42.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -119.88 5.75 10.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.888 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.0 m -125.98 157.43 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.507 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -138.47 106.99 5.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.581 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.9 m-85 -48.88 91.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.592 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.7 p -74.27 166.44 2.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.504 ' N ' HG22 ' A' ' 80' ' ' VAL . 75.1 mt-30 -138.15 134.2 34.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.6 -53.47 4.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -161.17 91.6 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -43.99 -59.23 2.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.6 t 63.1 114.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -30.22 68.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.5 147.17 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 65.79 173.55 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.6 m -39.75 130.43 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -160.06 145.7 15.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.1 t -153.47 132.22 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.977 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.0 -169.02 13.35 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.451 1.094 . . . . 0.0 111.021 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 145.39 31.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.514 1.797 . . . . 0.0 110.952 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.9 t -173.3 164.72 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.03 85.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.526 1.142 . . . . 0.0 111.012 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.62 157.16 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 0.728 . . . . 0.0 110.022 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.8 t -138.17 159.02 43.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.968 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.85 -164.33 9.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.472 1.108 . . . . 0.0 110.958 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -153.2 151.86 30.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 0.742 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.2 p -160.31 167.64 27.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.458 ' O ' HG22 ' A' ' 8' ' ' THR . . . -132.76 151.95 20.14 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER 69.03 156.94 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 0.793 . . . . 0.0 110.37 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 m -111.64 99.52 8.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 -64.78 1.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -133.27 139.76 47.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.299 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -90.22 37.75 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 40.0 p90 -176.78 52.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.5 t -128.57 -42.91 1.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.24 150.2 19.47 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.91 158.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 0.791 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.468 HG21 ' HB3' ' A' ' 49' ' ' TYR . 5.6 p -114.91 153.91 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.455 ' O ' HG12 ' A' ' 50' ' ' VAL . 77.4 m-70 -126.05 131.06 52.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.63 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.696 ' CD2' HG13 ' A' ' 80' ' ' VAL . 1.1 tp -88.79 119.27 29.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.557 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 35.4 m -118.96 156.77 28.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 108.303 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.579 HG23 ' CD1' ' A' ' 47' ' ' TYR . 3.9 p -116.2 112.77 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -34.99 117.93 0.41 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.56 ' HD2' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -74.12 -50.72 18.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.272 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.56 ' CE1' ' HD2' ' A' ' 23' ' ' ARG . 56.2 m-85 -137.05 127.56 26.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 p -41.13 116.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.97 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -128.29 145.31 51.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.55 116.62 5.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.432 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.0 -29.15 8.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 42.2 m-85 -85.14 30.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.47 -25.22 10.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -104.58 177.35 23.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.459 1.099 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.481 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.02 1.56 7.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.53 1.805 . . . . 0.0 111.004 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.481 ' C ' ' O ' ' A' ' 32' ' ' PRO . 3.0 m-20 -33.92 148.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' C ' ' HD3' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -100.0 -10.38 21.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.709 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -136.43 59.48 26.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.605 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -74.98 -33.59 4.49 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.529 1.805 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 3.4 pt-20 -61.94 -29.95 70.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.709 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -55.27 -48.32 74.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' O ' HD23 ' A' ' 40' ' ' LEU . 75.6 mt-10 -82.16 -177.25 6.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.661 HD11 ' O ' ' A' ' 68' ' ' GLN . 11.7 mt -130.27 141.75 43.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 92.87 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.675 HD11 ' HD2' ' A' ' 73' ' ' PRO . 14.8 mt -70.49 147.74 49.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.518 ' O ' ' C ' ' A' ' 44' ' ' ALA . 18.8 m -131.4 102.54 6.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.375 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.518 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -31.37 115.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.411 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.29 -42.97 1.78 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.06 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 43' ' ' THR . 32.1 mmtt -60.33 160.7 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.61 ' HD1' HG11 ' A' ' 80' ' ' VAL . 30.0 m-85 -117.07 173.11 6.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.626 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -165.92 155.13 11.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.468 ' HB3' HG21 ' A' ' 17' ' ' VAL . 34.8 m-85 -107.27 108.86 20.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.565 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.3 p -96.25 106.06 17.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.405 ' N ' HG23 ' A' ' 17' ' ' VAL . 81.4 m-85 -72.12 140.6 48.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.29 -146.53 47.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -121.64 -177.15 3.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.408 ' HG2' ' N ' ' A' ' 59' ' ' PHE . 6.1 ttm -48.96 157.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.71 172.9 8.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.37 -13.94 23.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.73 -31.56 17.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.26 41.42 1.65 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.408 ' N ' ' HG2' ' A' ' 54' ' ' MET . 17.6 m-85 -135.08 164.41 27.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 110.982 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' HB3' HG21 ' A' ' 50' ' ' VAL . 8.1 m-85 -104.94 137.91 41.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -81.66 47.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.522 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -47.65 143.79 6.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' TYR . 24.6 tt0 -118.38 93.21 4.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.59 HD13 HD13 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -38.83 145.34 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.9 mt -54.69 -22.07 12.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -77.24 -24.4 51.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 117.96 -0.03 17.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.548 1.155 . . . . 0.0 111.019 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.661 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.6 tt0 -65.06 122.44 17.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -109.78 117.55 34.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.441 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -160.54 179.86 35.76 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.598 ' O ' HG23 ' A' ' 72' ' ' VAL . 69.5 mt -69.71 162.89 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.665 HG13 HD11 ' A' ' 42' ' ' LEU . 53.4 t -158.76 122.64 2.11 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.675 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.2 Cg_endo -74.95 129.9 12.82 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.598 ' HA ' HG22 ' A' ' 77' ' ' VAL . 80.2 p -66.62 -11.01 51.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.412 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 1.6 m-20 -87.12 -0.34 56.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.462 ' C ' HG13 ' A' ' 77' ' ' VAL . 5.1 m-85 -131.93 30.14 4.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.607 HG11 ' CG1' ' A' ' 72' ' ' VAL . 17.2 m -154.86 155.23 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -134.27 107.34 7.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.248 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.557 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.7 m-85 -46.67 91.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.696 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.3 p -73.96 167.56 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.534 ' N ' HG22 ' A' ' 80' ' ' VAL . 61.7 mt-30 -142.75 134.34 26.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -62.16 -50.35 72.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -154.86 88.32 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.84 -66.69 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.36 109.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -62.58 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.07 176.89 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.349 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 65.89 61.54 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.5 152.66 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.6 t -172.35 153.44 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.417 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.28 140.61 21.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.95 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -89.23 136.05 13.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -53.25 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.95 81.87 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.77 89.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.48 166.33 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.973 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -85.59 171.94 11.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.1 -108.79 0.03 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -179.94 154.74 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.776 . . . . 0.0 110.015 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 p -177.0 161.58 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.967 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.08 137.46 4.2 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.135 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.1 t -110.92 -14.67 13.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 110.419 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m 170.1 118.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -106.93 -61.01 1.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -133.5 143.9 49.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -90.69 24.35 2.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -160.15 30.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.81 25.12 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.52 -167.11 28.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -61.52 164.24 6.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 18' ' ' HIS . 1.4 t -104.85 161.2 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.451 ' NE2' ' O ' ' A' ' 52' ' ' GLY . 23.8 m-70 -150.66 100.15 2.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.723 ' CD2' HG13 ' A' ' 80' ' ' VAL . 4.1 tp -71.84 119.24 15.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.561 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 75.2 m -124.23 156.5 36.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.34 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 45' ' ' GLY . 4.0 p -124.4 118.6 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -48.32 131.48 16.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 6.4 ttt180 -87.95 -28.46 21.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.449 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 31.5 m-85 -150.82 131.23 13.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.65 118.91 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -129.15 142.03 51.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.22 117.1 11.4 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.416 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.03 -29.58 8.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.587 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 49.4 m-85 -85.74 29.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' OD1' ' A' ' 30' ' ' ASP . 9.0 t0 -111.94 -27.67 8.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.44 176.72 31.6 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -74.97 0.77 8.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.523 1.802 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.6 m-20 -36.14 151.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.41 -7.8 18.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.675 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -136.86 60.2 28.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.587 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.97 -33.67 4.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.773 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -61.66 -31.05 71.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.675 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -56.64 -48.0 78.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -80.36 -173.46 4.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 62' ' ' GLY . 12.6 mt -135.06 143.28 45.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 93.6 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.77 . . . . 0.0 111.027 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.972 HD11 ' HD2' ' A' ' 73' ' ' PRO . 10.0 mt -66.52 152.84 44.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.487 ' O ' ' C ' ' A' ' 44' ' ' ALA . 53.1 m -140.49 103.02 4.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.394 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -34.27 114.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.502 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 107.6 -44.87 1.39 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' CG ' ' HB ' ' A' ' 43' ' ' THR . 23.3 mttt -51.95 159.8 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 0.784 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.609 ' HD2' HG11 ' A' ' 80' ' ' VAL . 40.1 m-85 -124.62 146.78 48.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.606 HD11 HG11 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -135.72 -171.88 2.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -142.23 116.92 9.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.6 HG11 ' CD1' ' A' ' 60' ' ' TYR . 3.7 t -90.1 127.0 42.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -100.85 86.16 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.57 1.169 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.451 ' O ' ' NE2' ' A' ' 18' ' ' HIS . . . 126.71 -152.33 18.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -116.03 -155.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 0.742 . . . . 0.0 109.275 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.402 ' O ' ' HG2' ' A' ' 54' ' ' MET . 15.5 ttp -108.27 108.51 19.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -156.6 19.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.261 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 1.8 pt-20 -111.44 40.72 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.565 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 3.4 t70 87.49 4.18 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.77 32.3 3.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -118.63 163.7 16.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 111.061 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.6 ' CD1' HG11 ' A' ' 50' ' ' VAL . 5.5 m-85 -121.57 124.97 45.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.427 ' N ' HG13 ' A' ' 50' ' ' VAL . 54.4 mt-10 -67.97 63.47 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.625 ' O ' HD12 ' A' ' 40' ' ' LEU . . . -71.46 137.27 25.85 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.532 1.145 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.478 ' OE1' ' CG ' ' A' ' 69' ' ' ARG . 12.2 tt0 -109.23 95.9 5.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.573 HD13 HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -40.02 153.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.4 HD21 ' O ' ' A' ' 47' ' ' TYR . 25.6 mt -62.17 -14.86 41.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.42 -11.98 50.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.02 -2.79 40.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.588 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.4 tt0 -60.07 120.94 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.478 ' CG ' ' OE1' ' A' ' 63' ' ' GLU . 6.4 mtt180 -108.82 119.12 38.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.239 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -165.9 -175.18 36.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.513 HD22 ' CD ' ' A' ' 56' ' ' GLU . 84.1 mt -77.77 161.68 27.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.81 ' CG1' HG11 ' A' ' 77' ' ' VAL . 96.5 t -153.75 126.93 4.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.972 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -74.97 129.68 12.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.834 ' HA ' HG22 ' A' ' 77' ' ' VAL . 41.7 t -70.38 -5.44 28.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -91.21 -0.38 57.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.319 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.421 ' CB ' HD12 ' A' ' 42' ' ' LEU . 6.6 m-85 -131.34 9.35 4.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.834 HG22 ' HA ' ' A' ' 74' ' ' SER . 3.4 m -128.47 156.07 40.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 80' ' ' VAL . 0.2 OUTLIER -137.27 106.79 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.561 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 48.0 m-85 -49.52 89.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.723 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.5 p -73.21 170.26 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.581 ' N ' HG22 ' A' ' 80' ' ' VAL . 14.4 pt20 -113.73 125.34 54.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -53.3 42.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 50.81 98.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.21 -53.09 2.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.237 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.5 t -176.54 136.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.98 -59.57 3.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 mt -95.51 133.2 39.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -164.31 177.67 8.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.83 168.43 19.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.6 t -158.01 143.62 17.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.7 p -132.8 159.25 40.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.016 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 143.22 81.91 0.06 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -65.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.532 1.806 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.8 t -174.26 -52.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.053 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.8 t 178.98 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.983 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.17 84.16 2.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 110.029 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -162.49 143.99 10.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.3 116.66 0.76 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.2 p -174.91 118.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 p -152.06 91.32 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.3 81.73 0.14 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -59.88 -16.1 26.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 110.396 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.6 m -76.31 126.29 30.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -76.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' ARG . 64.3 mt-30 -109.59 120.43 42.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' GLN . 1.4 mmm180 36.59 -151.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -73.79 55.93 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.0 t -88.33 -25.56 22.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' LYS . . . -64.33 134.49 39.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -40.07 156.62 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 0.75 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.458 HG22 ' CE1' ' A' ' 51' ' ' TYR . 2.0 t -102.0 159.13 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 33.8 m-70 -147.41 98.8 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.582 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.501 HD11 ' HB3' ' A' ' 47' ' ' TYR . 29.9 tp -72.0 107.7 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 59.9 m -114.06 151.12 32.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 108.334 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.586 ' HB ' HG22 ' A' ' 80' ' ' VAL . 3.3 p -119.69 112.56 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -40.92 129.38 2.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 24' ' ' TYR . 14.1 ttt180 -87.95 -29.95 20.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CZ ' ' HG2' ' A' ' 23' ' ' ARG . 32.4 m-85 -149.41 130.05 14.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.81 114.9 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -125.04 142.43 51.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.46 117.16 12.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -29.93 7.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.624 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.3 m-85 -87.12 32.42 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -111.6 -22.64 11.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.36 -175.08 22.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.94 0.05 9.35 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.504 1.792 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -38.8 118.79 0.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -78.96 -5.9 54.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.659 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -137.3 60.33 26.51 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.624 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.99 -32.94 4.97 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.517 1.798 . . . . 0.0 111.035 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.7 pt-20 -62.29 -27.91 69.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.659 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -57.34 -49.12 77.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' O ' HD23 ' A' ' 40' ' ' LEU . 45.6 mt-10 -81.4 -172.48 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.585 HD13 HD13 ' A' ' 64' ' ' LEU . 12.5 mt -134.02 142.13 42.2 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 92.58 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.028 HD11 ' HD2' ' A' ' 73' ' ' PRO . 10.3 mt -65.11 154.55 37.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.473 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.4 m -142.37 103.63 4.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.092 . . . . 0.0 110.439 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -35.17 115.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.473 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 107.45 -45.52 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 51.8 mmtt -54.47 160.85 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.556 ' CD1' HG23 ' A' ' 21' ' ' VAL . 29.3 m-85 -119.32 156.23 30.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.834 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -148.06 159.93 43.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' GLU . 51.7 m-85 -117.99 117.77 30.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.587 HG11 ' CD1' ' A' ' 60' ' ' TYR . 3.1 t -95.31 117.38 39.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.458 ' CE1' HG22 ' A' ' 17' ' ' VAL . 37.9 m-85 -90.94 91.2 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.44 ' O ' ' CD2' ' A' ' 18' ' ' HIS . . . 116.62 -164.57 12.33 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 111.049 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -100.9 -174.29 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.442 ' N ' ' SD ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -48.44 156.18 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -90.97 172.97 8.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -56.37 -30.03 62.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.77 -20.03 24.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.81 33.93 4.23 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -114.05 162.97 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 0.801 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.587 ' CD1' HG11 ' A' ' 50' ' ' VAL . 5.3 m-85 -109.61 130.37 55.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.421 ' N ' HG13 ' A' ' 50' ' ' VAL . 87.3 mt-10 -78.43 56.31 1.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.35 144.25 45.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.4 OUTLIER -112.75 92.78 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 0.759 . . . . 0.0 110.309 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.585 HD13 HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -39.94 146.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 41.7 mt -55.89 -19.25 11.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -18.76 41.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.84 -3.2 25.87 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.46 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.6 tt0 -60.19 125.74 24.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.763 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -116.09 111.58 20.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.443 ' CA ' ' HG ' ' A' ' 40' ' ' LEU . . . -156.55 179.4 32.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.135 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 38' ' ' ALA . 55.9 mt -71.9 146.0 48.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 48' ' ' LEU . 75.7 t -139.08 126.17 12.94 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 1.028 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.2 Cg_endo -74.96 128.21 11.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.725 ' HA ' HG22 ' A' ' 77' ' ' VAL . 75.4 p -68.69 -7.42 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -90.69 0.87 57.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.585 ' CB ' HD12 ' A' ' 42' ' ' LEU . 6.3 m-85 -131.97 15.23 4.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.802 HG11 ' CG1' ' A' ' 72' ' ' VAL . 4.2 m -138.11 152.66 26.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.427 ' HB3' HG12 ' A' ' 21' ' ' VAL . 0.6 OUTLIER -129.09 107.3 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.592 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.2 m-85 -49.1 104.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.753 HG12 ' H ' ' A' ' 81' ' ' GLN . 3.9 t -64.89 -179.67 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.753 ' H ' HG12 ' A' ' 80' ' ' VAL . 54.0 mt-30 -128.87 -118.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' ASN . 3.3 t70 69.35 -65.69 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.439 ' O ' ' N ' ' A' ' 85' ' ' SER . 10.0 p30 -40.64 -40.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.77 -59.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.345 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.632 ' OG ' HD23 ' A' ' 87' ' ' LEU . 82.6 p -154.54 142.14 19.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.522 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -94.07 4.54 53.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.632 HD23 ' OG ' ' A' ' 85' ' ' SER . 0.0 OUTLIER 31.32 91.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -174.25 57.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 t -172.64 160.95 4.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.5 t -141.51 132.99 26.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.8 p -162.02 172.42 15.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.025 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.1 -173.37 6.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 179.45 6.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.511 1.795 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.56 145.06 12.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.4 t -105.65 157.85 17.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 110.041 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 -179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.14 82.25 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.34 -58.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.019 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.15 -134.22 13.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.33 154.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 110.013 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.7 t 74.33 -57.97 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.08 -100.79 2.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.8 t -171.68 151.73 2.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.403 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.25 145.21 8.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.066 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -106.39 -64.48 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -131.4 -177.15 4.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.85 15.02 25.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 110.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.474 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 23.1 p90 -160.08 55.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 t -165.02 -48.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -52.55 126.73 32.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 155.6 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.681 ' CG1' ' CE2' ' A' ' 51' ' ' TYR . 27.6 m -84.89 163.82 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.536 ' HB3' ' CE2' ' A' ' 79' ' ' PHE . 79.3 m-70 -133.03 80.34 1.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.649 ' H ' ' ND2' ' A' ' 83' ' ' ASN . 9.4 tp -38.59 123.4 1.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.618 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 91.3 m -125.34 179.7 4.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 108.273 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.638 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.5 p -142.35 104.76 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -38.26 127.06 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.521 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 40.9 ttt180 -85.27 -27.09 26.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.521 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 27.7 m-85 -152.44 129.92 11.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.83 116.46 1.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.434 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 25.6 t80 -126.44 141.26 51.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.06 117.1 11.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.14 9.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.633 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 2.8 m-85 -87.35 32.02 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -111.66 -21.04 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.04 -176.09 22.15 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -75.01 -0.5 10.05 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.504 1.791 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -38.85 119.94 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -79.31 -4.9 53.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.632 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -137.57 60.25 24.7 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.351 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.633 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.97 -32.05 5.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.7 pt-20 -63.67 -26.4 68.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.632 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -57.74 -48.14 80.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 40' ' ' LEU . 40.4 mt-10 -84.41 -176.78 6.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.732 HD13 HD13 ' A' ' 64' ' ' LEU . 9.2 mt -129.38 141.98 43.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 18.4 Cg_endo -74.97 92.81 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.832 HD11 ' HD2' ' A' ' 73' ' ' PRO . 12.6 mt -67.48 146.07 54.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.509 ' O ' ' C ' ' A' ' 44' ' ' ALA . 20.6 m -132.52 105.39 7.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -32.27 117.78 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.538 ' O ' HG23 ' A' ' 21' ' ' VAL . . . 102.93 -46.8 1.17 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.421 1.076 . . . . 0.0 111.023 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 43' ' ' THR . 51.7 mmtt -55.66 155.36 5.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 0.757 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.439 ' CD1' HG23 ' A' ' 21' ' ' VAL . 11.3 m-85 -115.13 172.52 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.661 HD11 HG11 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -162.73 160.03 24.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.344 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 63' ' ' GLU . 39.6 m-85 -110.71 111.36 22.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 111.036 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.63 HG21 ' CG ' ' A' ' 60' ' ' TYR . 1.2 p -103.66 112.65 37.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 109.352 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.681 ' CE2' ' CG1' ' A' ' 17' ' ' VAL . 91.4 m-85 -78.21 134.55 37.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.13 172.48 10.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.36 -162.62 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.756 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.2 ptp -58.85 152.15 19.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.55 -161.53 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.365 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.2 -27.98 47.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.54 -23.51 24.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.3 11.52 29.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -96.84 160.27 14.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 0.75 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.63 ' CG ' HG21 ' A' ' 50' ' ' VAL . 4.1 m-85 -108.13 136.74 47.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -80.89 51.9 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.257 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.9 148.29 23.8 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.6 tt0 -122.52 95.42 4.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.732 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -38.13 147.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 47.5 mt -57.22 -21.26 32.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -72.16 -20.07 61.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.56 5.96 27.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.508 ' NE2' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -62.99 170.04 2.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -150.86 109.49 3.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -158.83 179.41 34.5 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.471 1.107 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 72' ' ' VAL . 88.3 mt -71.66 163.18 28.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 0.0 109.261 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.862 ' CG1' HG11 ' A' ' 77' ' ' VAL . 75.1 t -157.62 124.43 2.59 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.832 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -74.96 133.38 16.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.813 ' HA ' HG22 ' A' ' 77' ' ' VAL . 28.9 t -71.67 -4.12 25.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 4.6 t30 -92.11 -8.02 46.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.47 ' HB3' HD12 ' A' ' 42' ' ' LEU . 11.0 m-85 -122.94 12.85 9.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.862 HG11 ' CG1' ' A' ' 72' ' ' VAL . 5.1 m -134.5 144.59 34.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.564 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -127.46 106.99 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.618 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.2 m-85 -47.56 123.83 6.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.654 HG12 ' H ' ' A' ' 81' ' ' GLN . 1.5 t -77.83 -155.45 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.654 ' H ' HG12 ' A' ' 80' ' ' VAL . 14.8 pt20 -130.25 -35.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 0.0 110.267 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.497 ' HB3' ' CD2' ' A' ' 19' ' ' LEU . 12.4 t70 -40.7 -28.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.649 ' ND2' ' H ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -80.57 53.94 1.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.79 -58.91 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 83' ' ' ASN . 19.4 m -39.17 129.73 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.985 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.548 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -135.45 -45.72 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.548 ' N ' ' CD ' ' A' ' 86' ' ' ARG . 0.2 OUTLIER 38.02 -155.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.44 146.61 29.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.17 127.7 2.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 t -109.13 -32.68 7.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 0.0 110.429 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.24 116.75 5.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 168.73 98.15 0.12 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 0.0 111.047 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.76 39.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.59 141.35 55.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.8 m -133.3 151.06 51.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.959 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.454 1.096 . . . . 0.0 110.965 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 m 67.42 101.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 109.959 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -140.32 -58.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.022 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.8 -175.87 42.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.517 1.135 . . . . 0.0 111.021 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 p -96.63 172.04 8.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 p -140.19 151.95 45.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.999 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.85 66.64 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.5 t -174.01 -38.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.791 . . . . 0.0 110.383 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m 77.71 100.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -101.2 -60.36 1.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.519 ' OE1' ' CZ ' ' A' ' 13' ' ' TYR . 44.8 mt-30 -133.8 171.18 14.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.1 mmt-85 -116.03 32.88 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.532 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 27.7 p90 -170.49 56.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.0 t -178.56 -39.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.019 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.98 143.18 3.08 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.11 155.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.282 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.556 HG12 ' CG ' ' A' ' 51' ' ' TYR . 24.1 m -87.81 165.41 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.501 ' HB2' HG13 ' A' ' 50' ' ' VAL . 91.4 m-70 -133.8 85.06 2.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 81' ' ' GLN . 8.6 tp -40.52 114.41 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.553 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 69.4 m -120.65 158.8 26.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.512 1.132 . . . . 0.0 108.3 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.8 p -126.23 110.33 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.507 ' HB1' ' HB3' ' A' ' 42' ' ' LEU . . . -40.32 131.61 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.493 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 19.3 ttt180 -86.54 -25.97 24.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.493 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 32.1 m-85 -154.82 131.99 11.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.4 130.64 10.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.493 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 11.0 t80 -126.37 154.2 43.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 111.033 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.419 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -148.35 96.73 3.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -25.76 11.52 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 110.956 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.656 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 2.4 m-85 -91.08 26.9 2.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -110.37 -28.24 8.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.83 -176.03 35.18 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.135 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.96 -0.07 9.5 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.552 1.817 . . . . 0.0 110.986 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -39.17 116.8 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -79.25 -3.85 47.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.664 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -137.14 60.52 28.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.656 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -74.98 -37.14 2.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 3.0 pt-20 -61.71 -30.62 70.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.664 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -56.04 -43.14 77.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.475 ' O ' HD23 ' A' ' 40' ' ' LEU . 39.6 mt-10 -90.24 -177.58 5.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.658 HD11 ' O ' ' A' ' 68' ' ' GLN . 10.9 mt -129.26 137.16 30.38 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.0 94.54 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.56 HD21 HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -61.05 170.91 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.579 ' O ' ' C ' ' A' ' 44' ' ' ALA . 16.8 m -157.6 94.04 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 110.408 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.579 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -25.05 115.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.514 ' O ' HG23 ' A' ' 21' ' ' VAL . . . 105.28 -48.11 1.0 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' THR . 29.8 mmtt -50.25 162.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 20' ' ' CYS . 36.4 m-85 -125.71 158.19 35.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.597 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -153.19 167.89 27.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 63' ' ' GLU . 52.5 m-85 -118.9 115.38 24.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.67 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -105.9 112.53 39.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.556 ' CG ' HG12 ' A' ' 17' ' ' VAL . 84.0 m-85 -77.76 135.19 37.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.4 175.9 18.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.456 1.098 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -79.86 -166.79 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.417 ' N ' ' SD ' ' A' ' 54' ' ' MET . 0.0 OUTLIER -44.51 154.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 111.039 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 59' ' ' PHE . 23.7 t0 -87.19 170.31 11.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -46.69 -39.56 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.5 -26.18 28.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.35 -14.56 8.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' ASP . 11.0 m-85 -69.26 164.6 22.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.67 ' HB3' HG21 ' A' ' 50' ' ' VAL . 4.1 m-85 -111.3 132.12 54.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -77.31 60.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.45 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -61.47 155.45 36.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.513 1.133 . . . . 0.0 110.956 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' TYR . 35.1 tt0 -128.71 95.94 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.303 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.647 HD13 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -41.64 147.27 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.92 -17.62 17.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -80.88 -26.75 36.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.75 -2.74 11.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.658 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -62.76 122.46 15.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.9 mtt180 -110.79 116.31 31.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -160.5 -179.97 35.62 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 72' ' ' VAL . 89.5 mt -70.77 162.43 29.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.918 ' CG1' HG11 ' A' ' 77' ' ' VAL . 77.3 t -157.58 123.86 2.51 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.635 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.4 Cg_endo -75.0 134.18 17.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.524 1.802 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.814 ' HA ' HG22 ' A' ' 77' ' ' VAL . 25.5 t -73.61 -0.92 16.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.027 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 75' ' ' ASN . 4.5 t30 -93.69 -9.13 38.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 29.3 m-85 -122.4 6.95 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.918 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.0 m -126.84 147.29 31.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.548 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -128.28 105.95 8.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.553 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 54.0 m-85 -48.66 103.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.619 HG13 ' HG ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -86.69 163.65 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.682 ' O ' HD23 ' A' ' 19' ' ' LEU . 7.0 pt20 -66.65 -146.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 1.4 t0 179.81 -51.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 179.56 113.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.41 -53.02 3.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 110.268 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.7 m -69.09 99.9 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 109.977 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.21 -55.71 0.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 mt -105.66 173.65 6.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -160.22 174.74 13.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.5 t -51.32 116.85 2.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.948 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 5.8 t -76.23 -40.49 51.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 54.13 103.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.06 156.54 20.05 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -43.01 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.791 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.1 t 63.49 139.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.0 m -101.43 -59.69 1.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.26 158.46 1.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.754 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -177.93 148.77 0.54 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.6 -158.42 27.0 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.546 1.153 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.3 m -43.48 146.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 109.98 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 m -91.25 -58.43 2.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.98 -160.93 44.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.5 t -157.14 137.79 13.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 m 47.93 83.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.977 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -63.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -131.76 -175.49 3.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.36 23.39 6.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.528 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 21.1 p90 -169.56 52.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.98 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.9 t -160.84 -44.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -55.12 145.72 29.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.76 161.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.679 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 2.5 t -105.09 161.83 4.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.468 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 12.0 m-70 -152.51 101.25 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.597 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.617 ' CD2' HG13 ' A' ' 80' ' ' VAL . 5.5 tp -65.35 118.05 8.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.422 1.076 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' A' ' 79' ' ' PHE . 53.2 m -118.93 152.59 36.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.262 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 46' ' ' LYS . 4.2 p -120.61 125.03 73.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.92 126.83 19.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 40.0 ttt180 -85.63 -27.41 25.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 30.7 m-85 -153.71 128.94 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.09 127.26 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.971 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -140.58 140.61 35.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.34 116.8 12.14 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -31.39 6.23 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 111.015 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.611 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 4.2 m-85 -86.34 31.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.05 -16.53 12.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.2 -174.92 19.19 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -74.97 -1.21 10.91 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -39.43 118.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.86 -5.06 52.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.307 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.699 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -137.52 60.33 25.36 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.611 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.99 -33.24 4.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.772 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.4 pt-20 -62.25 -28.49 69.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.699 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -58.15 -45.63 87.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' O ' HD23 ' A' ' 40' ' ' LEU . 50.2 mt-10 -83.54 -171.1 3.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.346 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.914 HD13 HD13 ' A' ' 64' ' ' LEU . 11.7 mt -135.63 141.5 37.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 91.84 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.768 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.782 HD21 HG13 ' A' ' 72' ' ' VAL . 14.0 mt -66.24 153.16 43.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.616 ' O ' ' C ' ' A' ' 44' ' ' ALA . 6.7 m -143.22 94.7 2.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.616 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -22.13 113.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.503 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 106.95 -42.76 1.84 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' ' 21' ' ' VAL . 11.8 mttm -49.88 169.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 0.786 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.494 ' HD1' HG11 ' A' ' 80' ' ' VAL . 63.2 m-85 -130.05 163.54 26.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.474 HD23 ' C ' ' A' ' 47' ' ' TYR . 0.4 OUTLIER -162.81 160.25 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.467 ' O ' ' N ' ' A' ' 63' ' ' GLU . 50.8 m-85 -114.9 122.4 46.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.571 HG11 ' CD1' ' A' ' 60' ' ' TYR . 1.7 t -97.55 108.06 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.679 ' CE1' ' CG2' ' A' ' 17' ' ' VAL . 75.0 m-85 -87.0 112.77 22.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.68 -107.67 2.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -176.42 -173.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 0.741 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.3 mtm -42.24 148.12 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -102.59 -174.54 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 7.6 mt-10 -78.17 79.75 4.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 2.9 m-20 161.72 -37.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.09 49.49 0.41 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -133.45 159.85 39.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 0.739 . . . . 0.0 110.985 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.571 ' CD1' HG11 ' A' ' 50' ' ' VAL . 1.8 m-85 -107.22 138.21 43.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' N ' HG13 ' A' ' 50' ' ' VAL . 86.2 mt-10 -82.17 60.27 4.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.461 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -60.03 156.02 29.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.0 OUTLIER -134.25 101.92 5.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 0.734 . . . . 0.0 110.343 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.914 HD13 HD13 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -44.75 148.42 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.596 ' H ' HD12 ' A' ' 65' ' ' LEU . 5.6 mp -57.32 -16.9 9.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.6 -20.84 28.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.73 -27.31 5.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.157 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.574 ' HB3' HD22 ' A' ' 64' ' ' LEU . 1.5 tt0 -54.21 115.32 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.509 ' HA ' HD11 ' A' ' 40' ' ' LEU . 3.1 ptp85 -118.41 146.19 44.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -169.58 -161.74 20.54 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.145 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' ALA . 52.9 mt -81.06 150.13 28.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.782 HG13 HD21 ' A' ' 42' ' ' LEU . 21.5 t -153.08 130.18 5.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.674 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -75.02 131.31 14.12 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.663 ' HA ' HG22 ' A' ' 77' ' ' VAL . 78.5 p -69.17 -6.28 27.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.416 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . 1.1 m-20 -92.29 0.41 57.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 75' ' ' ASN . 5.7 m-85 -132.86 24.46 4.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.663 HG22 ' HA ' ' A' ' 74' ' ' SER . 9.4 m -144.67 160.31 14.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.5 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -142.57 107.15 4.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.556 ' CE1' ' SG ' ' A' ' 20' ' ' CYS . 3.1 m-85 -49.34 90.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.617 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.3 p -72.3 162.8 4.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.519 ' O ' HD23 ' A' ' 19' ' ' LEU . 4.6 pt20 -63.96 -145.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -179.04 -55.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.4 m120 50.95 83.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.223 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.54 -31.53 9.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 m 47.62 83.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.966 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.53 -64.46 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.1 mt -94.59 169.83 9.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.357 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.86 179.12 4.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.9 m -91.2 170.67 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 13.5 t -164.56 148.86 9.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.0 p -54.91 163.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -138.98 -179.74 17.68 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.492 1.12 . . . . 0.0 111.049 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 157.37 42.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.045 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.13 107.68 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.99 83.06 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -174.5 143.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 0.759 . . . . 0.0 109.983 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.6 t -67.04 154.19 41.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.067 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.21 -144.4 6.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.4 m 61.45 116.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.4 m -125.59 162.67 24.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.137 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.15 -129.0 5.44 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.6 p -86.7 106.68 17.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.54 143.75 26.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.982 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.65 19.68 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -104.67 -170.18 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 13' ' ' TYR . 10.2 mmt180 -100.06 142.49 31.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.545 ' CE1' ' OE1' ' A' ' 61' ' ' GLU . 57.4 m-85 37.38 46.34 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.64 18.19 6.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.042 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.07 149.28 27.82 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -41.41 156.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 0.754 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.657 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.6 t -93.25 159.71 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 26.4 m-70 -148.97 108.72 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.657 ' HG ' HG21 ' A' ' 80' ' ' VAL . 9.0 tp -71.42 125.74 27.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.593 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 85.1 m -126.23 173.06 9.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 108.275 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.622 ' O ' HG13 ' A' ' 21' ' ' VAL . 2.6 p -142.69 105.8 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -38.91 119.89 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.59 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 13.4 ttt180 -79.29 -25.71 42.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 31.7 m-85 -154.48 123.44 6.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.7 t -45.1 136.02 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 27' ' ' ASN . 6.0 t80 -147.57 148.62 31.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 111.023 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.468 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -138.68 119.06 9.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -32.62 5.24 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.448 1.762 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.626 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.9 m-85 -86.35 30.54 0.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.53 -13.43 12.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.42 -174.16 17.31 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -74.95 -0.08 9.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 m-20 -39.43 120.05 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -81.03 -6.09 58.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.495 ' N ' ' HD3' ' A' ' 36' ' ' PRO . 0.1 OUTLIER -138.48 60.37 20.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.626 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.89 -32.93 5.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 3.1 pt-20 -62.29 -27.51 69.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' N ' ' HG3' ' A' ' 37' ' ' GLU . . . -60.86 -45.42 94.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 40' ' ' LEU . 48.0 mt-10 -83.69 -173.85 4.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.747 HD13 HD13 ' A' ' 64' ' ' LEU . 12.7 mt -132.88 143.38 48.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 92.24 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.873 HD11 ' HD2' ' A' ' 73' ' ' PRO . 12.8 mt -64.74 155.59 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.497 ' O ' ' C ' ' A' ' 44' ' ' ALA . 68.5 m -144.38 105.12 4.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.437 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.497 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -33.18 115.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.501 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 105.38 -48.01 1.01 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' CG ' ' HB ' ' A' ' 43' ' ' THR . 20.2 mttt -48.39 151.56 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.496 ' CD2' HG23 ' A' ' 21' ' ' VAL . 54.7 m-85 -115.48 149.03 38.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.66 HD11 HG11 ' A' ' 72' ' ' VAL . 0.3 OUTLIER -141.81 170.29 15.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.448 ' O ' ' N ' ' A' ' 63' ' ' GLU . 50.1 m-85 -123.9 121.56 35.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.603 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.6 t -95.29 117.3 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.657 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 21.7 m-85 -95.78 103.66 15.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.82 -131.41 10.22 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.2 -169.25 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.786 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.35 127.72 2.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -76.97 169.01 19.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -59.3 -15.94 18.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.1 OUTLIER -98.43 -16.42 19.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.31 44.48 3.75 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -134.12 176.61 8.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.603 ' CD1' HG11 ' A' ' 50' ' ' VAL . 4.8 m-85 -111.02 132.34 54.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.545 ' OE1' ' CE1' ' A' ' 13' ' ' TYR . 65.2 mt-10 -80.39 60.17 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.72 143.13 45.25 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.564 1.165 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 49' ' ' TYR . 25.5 tt0 -115.73 91.24 3.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 0.778 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.747 HD13 HD13 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -37.85 144.73 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.3 mt -51.75 -23.85 5.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.22 -33.13 59.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 128.53 -4.8 6.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.509 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -57.4 123.04 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.284 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -110.46 110.22 20.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.097 . . . . 0.0 110.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.96 -177.18 25.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.586 1.178 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 72' ' ' VAL . 76.5 mt -75.75 162.28 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.954 ' CG1' HG11 ' A' ' 77' ' ' VAL . 72.6 t -157.64 127.52 3.31 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.873 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.4 Cg_endo -75.02 134.21 17.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.689 ' HA ' HG22 ' A' ' 77' ' ' VAL . 82.4 p -74.52 -2.29 25.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.416 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -96.33 1.9 52.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.426 1.079 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 8.0 m-85 -135.05 13.31 3.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.954 HG11 ' CG1' ' A' ' 72' ' ' VAL . 8.2 m -137.79 145.58 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -128.42 129.22 45.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.593 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 2.9 m-85 -66.6 54.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 111.041 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.657 HG21 ' HG ' ' A' ' 19' ' ' LEU . 2.2 t 27.93 -139.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.528 ' H ' HG12 ' A' ' 80' ' ' VAL . 3.3 pt20 -136.62 -109.24 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 110.312 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' CG ' ' A' ' 83' ' ' ASN . 15.1 t0 71.92 -59.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.4 ' CG ' ' C ' ' A' ' 82' ' ' ASP . 2.4 m120 -164.04 99.67 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.76 -52.68 5.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.7 t -153.19 139.97 19.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.505 ' O ' ' C ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -90.18 4.55 50.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.505 ' C ' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER 31.35 91.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -169.85 128.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.93 158.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -166.08 135.33 3.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.394 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.59 132.01 52.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -127.16 -84.61 0.5 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -56.45 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.546 1.814 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 96' ' ' GLY . 0.7 OUTLIER 55.74 -94.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.955 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.9 m 68.39 -69.67 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.26 90.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 0.76 . . . . 0.0 110.043 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.16 158.7 16.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.953 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.65 -155.0 29.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 t -150.56 156.33 41.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 109.975 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.9 p -49.69 162.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.83 -119.6 3.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.453 1.096 . . . . 0.0 111.018 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.3 t -173.29 153.7 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 110.433 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.8 p -103.78 118.12 35.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -103.37 -65.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -131.24 -176.27 3.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.459 ' HB3' ' CD2' ' A' ' 13' ' ' TYR . 1.6 mtt85 -77.2 140.85 40.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.352 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 69' ' ' ARG . 40.8 m-85 43.63 44.3 5.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.0 t -128.01 -48.09 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.975 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.61 164.14 0.09 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -42.92 164.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.557 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.4 t -102.54 158.98 4.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 50' ' ' VAL . 9.1 m-70 -146.89 108.0 4.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.621 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.622 ' CD2' HG13 ' A' ' 80' ' ' VAL . 6.3 tp -70.72 120.87 16.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.489 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 77.8 m -123.31 156.74 34.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 108.284 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 46' ' ' LYS . 4.2 p -128.5 117.34 44.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.432 1.082 . . . . 0.0 109.352 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.03 131.74 9.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' O ' ' CD1' ' A' ' 24' ' ' TYR . 41.9 ttt180 -89.16 -27.99 20.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.432 ' CD1' ' O ' ' A' ' 23' ' ' ARG . 26.6 m-85 -149.18 129.15 13.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -49.8 123.68 8.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -137.13 143.6 42.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.32 118.14 13.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.33 8.34 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.514 1.797 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.618 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 3.1 m-85 -87.26 30.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.07 -16.27 13.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -112.62 -175.82 19.61 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.1 Cg_endo -74.99 -0.81 10.41 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -39.52 118.47 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.78 -4.84 51.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.727 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -137.59 60.38 25.29 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.618 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.1 Cg_endo -75.0 -34.04 4.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.8 pt-20 -62.03 -28.72 69.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.727 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -58.26 -47.02 84.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -82.0 -172.26 3.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.714 HD13 ' HG ' ' A' ' 64' ' ' LEU . 14.4 mt -134.47 143.54 47.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 90.95 1.05 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.528 1.804 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.983 HD11 ' HD2' ' A' ' 73' ' ' PRO . 4.2 mt -61.97 145.53 52.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.515 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.7 m -138.6 100.31 4.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -31.43 108.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.513 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 114.09 -45.0 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.9 mttt -46.19 162.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.741 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.408 ' HD1' HG11 ' A' ' 80' ' ' VAL . 80.6 m-85 -124.01 146.07 48.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.439 HD11 HG11 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -147.9 164.14 34.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.335 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.575 ' CE1' HD13 ' A' ' 19' ' ' LEU . 63.5 m-85 -122.32 124.17 43.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.622 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.1 t -96.98 116.58 39.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.557 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 38.9 m-85 -94.08 98.59 11.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.94 171.95 25.38 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.426 1.079 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -70.16 -157.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.417 ' HG3' ' HA2' ' A' ' 58' ' ' GLY . 0.8 OUTLIER -63.03 149.53 44.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -76.7 178.17 6.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -52.99 -31.83 43.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.323 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.54 -19.25 21.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.417 ' HA2' ' HG3' ' A' ' 54' ' ' MET . . . 116.26 -19.03 13.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.433 1.083 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -58.48 165.74 2.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 0.745 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.622 ' CD1' HG11 ' A' ' 50' ' ' VAL . 2.2 m-85 -107.47 121.13 44.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.84 59.14 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.75 148.76 41.66 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.8 OUTLIER -115.6 111.75 21.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 110.271 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.714 ' HG ' HD13 ' A' ' 40' ' ' LEU . 3.9 mt -52.96 -172.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.1 mt -86.36 -38.88 16.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -68.56 -22.92 64.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.78 4.69 9.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.494 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -61.04 120.18 9.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 110.318 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.563 ' HB3' ' CE1' ' A' ' 13' ' ' TYR . 66.8 mtt180 -111.83 104.27 12.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.25 -173.82 13.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.476 ' C ' HG23 ' A' ' 72' ' ' VAL . 82.3 mt -80.17 159.07 26.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.805 HG12 HG11 ' A' ' 77' ' ' VAL . 47.5 t -154.72 129.45 4.91 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.983 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -75.01 133.61 16.78 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.79 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.727 ' HA ' HG22 ' A' ' 77' ' ' VAL . 86.3 p -74.62 -1.93 23.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.03 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.42 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 14.4 m-20 -97.06 1.47 50.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 75' ' ' ASN . 6.8 m-85 -134.79 14.32 3.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.805 HG11 HG12 ' A' ' 72' ' ' VAL . 4.4 m -129.64 154.35 40.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.483 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -135.92 106.17 6.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.489 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 40.2 m-85 -50.02 89.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 111.017 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.622 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.4 p -70.16 166.23 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.505 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 83.5 mt-30 -137.94 135.71 36.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.1 -52.01 5.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 50.33 96.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.11 -45.79 2.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 m -166.54 -177.04 3.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 87' ' ' LEU . 8.6 mmt180 -107.58 10.87 29.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER 38.42 -158.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -121.22 176.7 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.57 174.8 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.992 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.8 t -158.86 141.82 14.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 110.426 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 t -41.96 133.22 2.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -147.8 173.36 27.89 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.446 1.092 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -178.14 3.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.79 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.3 t -172.02 168.44 5.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 20.6 m -145.25 170.05 17.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.976 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 110.956 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 p -174.18 135.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 0.726 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -147.33 -58.63 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.137 . . . . 0.0 109.956 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.76 -94.3 0.1 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -41.08 136.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 110.046 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -163.76 153.57 14.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.55 168.05 13.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.5 p -143.2 -171.24 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 110.436 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 10' ' ' LYS . 14.5 p -165.75 -175.77 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.972 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER 35.45 74.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 5.9 mm-40 -142.69 148.21 36.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.39 42.36 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.344 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 179.16 36.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.941 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.82 26.34 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.4 -145.75 5.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 159.1 31.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.7 ' CG2' ' CE2' ' A' ' 51' ' ' TYR . 4.9 t -120.85 147.63 24.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.481 ' HB2' HG13 ' A' ' 50' ' ' VAL . 39.3 m-70 -125.89 76.77 1.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.632 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.641 ' CD2' HG13 ' A' ' 80' ' ' VAL . 1.7 tp -44.26 120.64 2.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.548 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 6.5 m -117.49 166.91 11.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 108.281 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.669 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.5 p -133.66 101.09 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . . . -39.27 127.88 1.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -90.39 -32.75 16.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.271 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.417 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 28.5 m-85 -138.2 130.09 28.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.14 105.15 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 53.2 t80 -105.69 138.27 42.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -137.02 108.78 8.99 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.586 1.179 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.431 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.01 -33.04 4.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 34.2 m-85 -84.27 27.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -111.86 -29.27 7.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.84 177.88 33.18 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.0 0.99 8.23 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.466 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 m-20 -34.96 148.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' C ' ' HD3' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -101.21 -11.58 19.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.766 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -135.09 60.26 38.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -75.02 -34.85 3.5 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -61.51 -27.33 68.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.766 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -62.03 -47.0 86.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.32 -173.51 3.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.666 HD11 ' O ' ' A' ' 68' ' ' GLN . 11.4 mt -134.65 139.1 31.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 18.4 Cg_endo -75.0 90.31 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.503 1.791 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.787 HD11 HG13 ' A' ' 72' ' ' VAL . 51.5 mt -67.94 154.95 40.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.554 ' O ' ' C ' ' A' ' 44' ' ' ALA . 18.9 m -136.75 99.26 4.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 110.366 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.554 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -27.76 116.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.51 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 104.06 -47.82 1.05 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.48 1.112 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 43' ' ' THR . 22.7 mmtt -51.85 163.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.534 ' HD1' HG11 ' A' ' 80' ' ' VAL . 49.2 m-85 -119.27 159.47 24.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.733 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -154.74 154.02 32.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.4 m-85 -106.08 112.56 25.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.717 HG21 ' HB3' ' A' ' 60' ' ' TYR . 0.6 OUTLIER -106.59 116.98 51.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.7 ' CE2' ' CG2' ' A' ' 17' ' ' VAL . 69.1 m-85 -86.93 135.55 33.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.5 -168.59 54.5 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -106.12 -172.93 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.779 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.417 ' SD ' ' CZ ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -46.57 145.39 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -85.88 -178.38 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.09 -23.18 67.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.25 -28.22 20.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.59 36.85 2.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.458 ' CB ' HD22 ' A' ' 71' ' ' LEU . 9.6 m-85 -123.39 164.77 18.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.717 ' HB3' HG21 ' A' ' 50' ' ' VAL . 1.9 m-85 -111.8 128.36 56.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -71.61 61.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.51 ' HA3' HG21 ' A' ' 72' ' ' VAL . . . -64.94 152.88 50.71 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' TYR . 33.5 tt0 -129.71 89.14 2.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 0.791 . . . . 0.0 110.365 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.556 HD13 HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -38.04 150.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.56 -15.36 37.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -82.74 -14.23 54.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.6 -2.84 36.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.666 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.8 tt0 -61.13 119.32 8.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 0.761 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -109.23 129.73 55.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -177.57 -163.97 30.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.499 1.124 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.476 ' C ' HG23 ' A' ' 72' ' ' VAL . 83.5 mt -82.04 163.86 21.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.895 ' CG1' HG11 ' A' ' 77' ' ' VAL . 96.1 t -155.62 124.07 2.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.628 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.3 Cg_endo -74.98 128.23 11.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.444 1.76 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.877 ' HA ' HG22 ' A' ' 77' ' ' VAL . 76.2 p -68.37 -7.86 35.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.412 ' C ' ' CD1' ' A' ' 76' ' ' PHE . 1.3 t-20 -89.09 -0.1 57.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 4.8 m-85 -133.02 11.62 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.946 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.895 HG11 ' CG1' ' A' ' 72' ' ' VAL . 3.2 m -130.0 146.01 34.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.598 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -129.34 106.83 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.548 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.2 m-85 -47.75 92.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.641 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.4 p -74.93 167.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.539 ' N ' HG22 ' A' ' 80' ' ' VAL . 73.0 mt-30 -141.92 133.84 27.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.29 -56.63 7.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' GLU . 46.5 m-20 -141.36 90.28 2.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -38.6 -67.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.1 t 63.32 115.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.558 ' CD ' ' N ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -48.92 -46.41 43.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.558 ' N ' ' CD ' ' A' ' 86' ' ' ARG . 0.2 OUTLIER 38.5 -155.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.61 167.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.87 142.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.2 t -171.02 140.7 1.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.9 t -162.25 169.18 21.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -121.6 96.55 0.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 134.37 17.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.441 1.759 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.7 p -161.03 119.65 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.963 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.18 92.21 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.471 1.107 . . . . 0.0 111.012 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -171.18 -50.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 0.805 . . . . 0.0 109.988 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.7 m 57.35 165.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.13 -153.73 14.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.11 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 p -137.41 -60.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.63 171.72 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.022 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.75 -143.03 5.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' ' 9' ' ' SER . 59.1 p -107.51 85.13 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 110.38 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 8' ' ' THR . 2.6 m 59.64 117.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.007 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -114.78 -65.66 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -128.3 -178.18 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 14' ' ' SER . 0.3 OUTLIER -55.15 -166.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.633 ' CG ' ' O ' ' A' ' 13' ' ' TYR . 8.4 p90 -65.99 57.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -108.25 -17.85 13.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.029 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.54 162.91 40.43 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.85 163.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.5 ' CG2' ' CE2' ' A' ' 51' ' ' TYR . 2.0 t -100.27 159.59 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.433 ' N ' ' CG1' ' A' ' 17' ' ' VAL . 15.5 m-70 -142.78 114.13 7.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.634 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 81' ' ' GLN . 11.7 tp -74.46 115.69 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.557 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 64.3 m -121.54 156.72 32.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.323 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 78' ' ' ASP . 4.7 p -121.88 116.11 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.635 ' HB1' ' HB3' ' A' ' 42' ' ' LEU . . . -40.21 119.11 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.565 ' NE ' ' CZ ' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -69.15 -52.7 25.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.565 ' CZ ' ' NE ' ' A' ' 23' ' ' ARG . 55.2 m-85 -134.86 133.95 40.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 t -42.85 139.61 1.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.977 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.548 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 8.2 t80 -141.44 148.76 40.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.79 92.5 4.41 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -25.02 12.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.54 1.811 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.592 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 15.3 m-85 -85.98 19.21 2.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -110.48 -20.65 12.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.07 179.82 31.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.02 0.24 9.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 m-20 -38.85 125.86 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' C ' ' HD3' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -83.48 -11.24 57.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.267 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.693 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -135.07 60.76 42.32 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.592 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.99 -34.03 4.14 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.484 ' HA ' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -61.68 -26.51 68.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.305 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.693 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -67.75 -8.21 33.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.49 ' O ' HD23 ' A' ' 40' ' ' LEU . 39.9 mt-10 -124.67 172.93 8.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.981 HD13 HD13 ' A' ' 64' ' ' LEU . 10.1 mt -123.47 135.6 26.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 84.68 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.898 HD21 HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -51.35 163.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.649 ' O ' ' C ' ' A' ' 44' ' ' ALA . 11.8 m -149.81 86.22 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.423 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.649 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -17.6 112.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.444 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 108.59 -41.96 2.08 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.537 1.148 . . . . 0.0 111.063 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 3.6 mttt -51.92 159.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 0.756 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.528 ' HD1' HG11 ' A' ' 80' ' ' VAL . 66.8 m-85 -125.69 144.41 50.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.476 ' N ' HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -137.87 -173.79 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 63' ' ' GLU . 73.8 m-85 -137.39 119.61 15.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.617 HG11 ' CD1' ' A' ' 60' ' ' TYR . 1.8 t -94.69 105.82 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.5 ' CE2' ' CG2' ' A' ' 17' ' ' VAL . 35.6 m-85 -80.97 117.05 21.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.32 -125.69 8.47 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' MET . 0.2 OUTLIER -152.01 -171.99 4.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 53' ' ' ASP . 7.6 mtm -35.92 129.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -76.02 -176.3 3.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -48.82 -46.14 41.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -86.92 -20.52 27.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.33 -29.6 6.36 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -44.53 155.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.617 ' CD1' HG11 ' A' ' 50' ' ' VAL . 7.7 m-85 -100.65 123.15 44.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -76.07 55.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 110.294 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -54.39 137.35 42.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' TYR . 4.1 tt0 -105.42 95.01 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.981 HD13 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -40.03 153.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.1 mt -57.96 -21.96 46.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.242 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -82.27 -19.25 39.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.29 -4.64 25.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.504 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -54.92 124.3 16.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -108.41 101.33 10.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.353 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.88 165.13 26.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.443 ' C ' HG23 ' A' ' 72' ' ' VAL . 43.9 mt -66.25 157.26 31.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.898 HG13 HD21 ' A' ' 42' ' ' LEU . 46.5 t -152.84 126.06 4.17 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 76' ' ' PHE . 18.3 Cg_endo -74.97 129.07 12.02 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.797 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.549 ' HA ' HG22 ' A' ' 77' ' ' VAL . 84.3 p -59.94 -15.12 19.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.955 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -84.62 -1.94 56.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.728 ' HB3' HD23 ' A' ' 42' ' ' LEU . 6.4 m-85 -130.18 37.01 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 74' ' ' SER . 15.8 m -156.26 165.08 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.526 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -148.57 105.71 3.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.269 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.557 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 52.8 m-85 -50.59 88.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.656 HG13 ' HG ' ' A' ' 19' ' ' LEU . 1.2 p -69.76 164.85 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.658 ' O ' HD23 ' A' ' 19' ' ' LEU . 10.3 pt20 -64.02 -145.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -176.94 -55.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -169.41 107.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.15 -47.24 6.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.9 p -61.29 104.24 0.37 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.62 -55.01 1.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.01 169.32 8.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.8 103.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 t -179.19 90.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -160.18 147.19 16.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.409 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.2 p -94.9 124.7 39.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.36 -167.06 21.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.89 30.36 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.512 1.796 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.2 p -96.55 162.62 13.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.3 m -48.27 -58.49 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.035 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.05 144.38 35.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.0 p 179.56 156.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.052 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.04 124.7 2.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.04 165.71 4.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 0.768 . . . . 0.0 109.961 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m 59.67 86.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' HG23 ' A' ' 8' ' ' THR . . . -91.47 150.19 20.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.403 HG23 ' C ' ' A' ' 7' ' ' GLY . 54.4 p -150.14 -172.69 4.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 0.771 . . . . 0.0 110.371 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.2 m -70.79 87.1 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.053 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -77.26 -66.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -134.39 139.55 45.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 110.29 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -103.52 69.78 1.0 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 174.51 -33.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.79 18.41 4.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.09 -179.15 36.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -57.6 166.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.529 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 2.1 t -109.61 159.73 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.48 ' ND1' ' O ' ' A' ' 17' ' ' VAL . 14.7 m-70 -151.35 105.59 3.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.654 ' CD2' HG13 ' A' ' 80' ' ' VAL . 2.1 tp -74.16 120.65 20.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.501 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 1.6 m -116.06 166.88 11.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 108.298 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.671 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.5 p -138.22 101.3 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.427 1.079 . . . . 0.0 109.371 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -33.06 124.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -82.7 -50.82 8.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.473 ' O ' ' CB ' ' A' ' 25' ' ' SER . 62.3 m-85 -126.03 -1.82 7.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.481 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER 82.93 -179.25 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.492 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 37.7 t80 178.72 105.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -98.05 114.36 65.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.415 ' HB2' ' HA ' ' A' ' 36' ' ' PRO . 18.2 Cg_endo -75.0 -32.58 5.25 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 5.3 m-85 -86.46 34.11 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -113.23 -28.33 7.66 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 109.242 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.62 -177.3 31.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.03 0.97 8.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.457 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.7 m-20 -36.24 151.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.77 -8.94 15.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.627 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -136.55 60.14 29.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.601 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.2 Cg_endo -75.04 -33.53 4.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.511 1.795 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 2.7 pt-20 -60.46 -27.36 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.627 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -60.77 -40.07 91.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.447 ' O ' HD23 ' A' ' 40' ' ' LEU . 24.8 mt-10 -89.34 -176.15 4.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.804 HD11 ' O ' ' A' ' 68' ' ' GLN . 10.3 mt -127.98 138.18 32.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 18.3 Cg_endo -74.98 86.49 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.813 HD11 ' HD2' ' A' ' 73' ' ' PRO . 31.3 mt -57.64 149.33 21.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 44' ' ' ALA . 22.9 m -134.27 93.81 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.348 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.575 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -25.87 113.27 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.487 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 108.89 -46.89 1.1 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.626 ' O ' HG23 ' A' ' 21' ' ' VAL . 10.1 mttt -48.52 176.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.485 ' HA ' ' O ' ' A' ' 20' ' ' CYS . 68.4 m-85 -134.95 148.37 50.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.786 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -149.93 157.67 43.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.52 ' O ' ' N ' ' A' ' 63' ' ' GLU . 66.9 m-85 -113.16 131.08 55.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.602 HG11 ' CD1' ' A' ' 60' ' ' TYR . 4.2 t -102.08 116.54 45.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.529 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 40.5 m-85 -97.19 85.79 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 124.65 171.31 13.33 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -80.43 -162.09 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.408 ' N ' ' SD ' ' A' ' 54' ' ' MET . 0.1 OUTLIER -56.45 155.15 7.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.29 176.78 6.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.44 -39.01 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.96 -16.81 32.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.57 43.74 2.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.452 ' CB ' HD22 ' A' ' 71' ' ' LEU . 9.1 m-85 -117.56 167.03 11.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 0.753 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.602 ' CD1' HG11 ' A' ' 50' ' ' VAL . 3.3 m-85 -110.49 128.62 55.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.401 ' N ' HG13 ' A' ' 50' ' ' VAL . 48.1 mt-10 -73.53 58.45 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.429 ' HA3' HG21 ' A' ' 72' ' ' VAL . . . -54.52 156.54 7.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 49' ' ' TYR . 39.9 tt0 -131.84 84.23 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.585 HD13 HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -36.73 152.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.8 mt -60.74 -18.9 57.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -83.31 -2.83 56.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.63 1.15 66.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.804 ' O ' HD11 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -62.17 118.41 7.34 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.515 0.773 . . . . 0.0 110.331 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -106.79 113.2 26.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.464 ' CA ' ' HG ' ' A' ' 40' ' ' LEU . . . -159.68 171.76 36.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.511 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 87.4 mt -61.51 163.59 6.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.998 ' CG1' HG11 ' A' ' 77' ' ' VAL . 87.8 t -157.67 125.62 2.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.813 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.3 Cg_endo -74.97 134.53 17.98 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.697 ' HA ' HG22 ' A' ' 77' ' ' VAL . 87.1 p -77.32 10.09 2.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 75' ' ' ASN . 0.1 OUTLIER -105.85 -11.35 16.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 25' ' ' SER . 85.1 m-85 -123.95 16.75 9.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.998 HG11 ' CG1' ' A' ' 72' ' ' VAL . 6.0 m -133.29 142.13 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.539 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -123.43 105.78 10.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -49.49 90.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.654 HG13 ' CD2' ' A' ' 19' ' ' LEU . 1.6 p -70.45 160.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 82' ' ' ASP . 1.4 pt20 -61.68 -142.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.252 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 81' ' ' GLN . 6.9 t0 85.09 -45.78 0.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -141.18 89.27 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 85' ' ' SER . 0.2 OUTLIER -43.85 -64.38 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.329 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER 79.61 114.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.42 -30.75 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 6.3 mt -58.05 153.59 14.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 87' ' ' LEU . . . -179.84 -171.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.4 t 58.46 108.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.973 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 t -167.76 142.07 3.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.6 t -40.79 126.42 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.992 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 137.74 124.77 2.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 176.8 9.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.2 t -170.09 135.22 1.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.74 89.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 p 178.45 -58.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.773 . . . . 0.0 109.959 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.91 97.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.31 143.39 5.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -129.27 -59.56 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 0.752 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 p 47.77 91.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.963 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.41 152.55 17.06 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -105.97 -16.26 14.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 0.799 . . . . 0.0 110.409 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 p 173.52 107.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -108.27 -57.9 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -135.07 142.65 46.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.287 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -89.22 37.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.306 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -177.14 34.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.35 23.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.12 179.59 51.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -50.56 159.14 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.64 ' CG2' ' CZ ' ' A' ' 51' ' ' TYR . 1.6 t -104.99 159.74 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 17' ' ' VAL . 20.9 m-70 -149.94 104.03 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.713 ' CD2' HG13 ' A' ' 80' ' ' VAL . 3.5 tp -70.1 119.62 14.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.604 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 12.2 m -115.51 165.41 13.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 108.287 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.8 p -135.08 100.18 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 42' ' ' LEU . . . -38.77 128.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -86.54 -37.33 18.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 27.3 m-85 -140.53 129.91 23.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.79 129.97 5.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.972 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.514 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 9.9 t80 -123.85 151.88 42.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.43 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 1.1 m120 -148.42 96.81 3.85 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' O ' ' HB3' ' A' ' 36' ' ' PRO . 18.3 Cg_endo -75.0 -16.78 20.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.639 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 1.2 m-85 -95.07 28.16 2.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 111.035 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -108.05 -24.84 11.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.22 -179.35 32.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.3 Cg_endo -75.06 -0.32 9.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.782 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -38.49 119.16 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.65 -3.07 42.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.499 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -138.68 60.49 19.8 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.639 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.3 Cg_endo -74.98 -35.08 3.37 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 111.01 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.41 -21.95 65.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.499 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -60.42 -45.62 92.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.431 ' O ' HD23 ' A' ' 40' ' ' LEU . 22.4 mt-10 -86.35 -178.2 6.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.786 HD11 ' O ' ' A' ' 68' ' ' GLN . 9.1 mt -127.68 135.24 27.17 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 89.52 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.013 HD21 HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -58.77 167.87 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.612 ' O ' ' C ' ' A' ' 44' ' ' ALA . 18.8 m -150.75 95.82 2.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.612 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -22.19 114.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 103.63 -48.63 1.0 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 21' ' ' VAL . 32.1 mttt -46.79 158.03 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.518 ' HD1' HG11 ' A' ' 80' ' ' VAL . 64.8 m-85 -117.84 156.4 28.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.747 HD13 ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -157.88 153.64 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 63' ' ' GLU . 60.3 m-85 -108.77 131.26 55.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.597 HG11 ' CD1' ' A' ' 60' ' ' TYR . 2.8 t -101.56 111.8 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.64 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 34.5 m-85 -93.84 93.98 8.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.95 -135.15 8.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -151.44 -173.74 4.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 0.738 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.59 121.42 5.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -162.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.76 -27.04 57.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -88.93 -16.94 30.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 109.333 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 93.26 43.61 3.99 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -120.25 171.62 8.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 0.758 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.597 ' CD1' HG11 ' A' ' 50' ' ' VAL . 3.0 m-85 -112.76 129.26 56.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 50' ' ' VAL . 48.4 mt-10 -75.14 60.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.26 157.52 12.91 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.11 . . . . 0.0 111.035 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 49' ' ' TYR . 24.1 tt0 -131.63 82.73 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.554 HD13 HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -35.37 146.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.4 mt -57.65 -18.43 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.13 -5.46 58.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.63 -3.06 60.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.786 ' O ' HD11 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -59.58 121.49 11.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -110.8 125.25 53.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.426 ' CA ' ' O ' ' A' ' 38' ' ' ALA . . . -174.96 -179.81 45.77 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.544 ' O ' HG23 ' A' ' 72' ' ' VAL . 92.6 mt -67.49 164.37 19.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 0.734 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.013 HG13 HD21 ' A' ' 42' ' ' LEU . 70.8 t -158.16 124.82 2.54 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.645 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.3 Cg_endo -74.95 127.01 10.38 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.895 ' HA ' HG22 ' A' ' 77' ' ' VAL . 54.4 p -67.81 -8.33 35.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -87.65 -1.69 58.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 4.7 m-85 -131.01 8.39 4.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.963 HG11 ' CG1' ' A' ' 72' ' ' VAL . 2.7 m -128.73 152.39 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.545 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -135.43 106.8 6.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.604 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.4 m-85 -47.45 92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.713 HG13 ' CD2' ' A' ' 19' ' ' LEU . 2.6 p -76.82 169.68 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.574 ' N ' HG22 ' A' ' 80' ' ' VAL . 15.3 pt20 -111.37 122.02 46.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.46 -47.03 48.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 167.08 94.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.66 -74.89 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.341 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.6 t -156.55 161.21 39.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -100.26 -53.09 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.7 mt -98.78 149.13 23.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.2 172.05 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.05 86.55 6.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.967 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -175.25 145.91 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.99 96.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 173.57 104.12 0.17 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 82.1 2.08 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m 50.88 78.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.045 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.2 t -120.49 -60.18 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m 178.18 114.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 0.777 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.57 138.01 27.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 177.94 -175.4 47.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.55 1.156 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t 68.44 -69.27 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 0.74 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 4' ' ' GLY . 49.2 m 57.23 100.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' CA ' ' CG ' ' A' ' 53' ' ' ASP . . . 115.47 40.24 0.87 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.1 p -91.95 98.59 11.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 110.385 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.0 p -66.73 103.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.967 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.73 -53.2 2.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -128.77 -179.23 4.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.316 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.28 134.22 47.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.503 ' CZ ' ' NH2' ' A' ' 69' ' ' ARG . 14.5 m-85 53.22 53.95 11.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.41 26.84 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' LYS . . . -132.66 138.96 10.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' GLY . 0.2 OUTLIER -39.62 156.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.577 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 22.7 m -91.67 -170.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.577 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 70.4 m-70 -160.41 99.94 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.609 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.625 ' HG ' HG13 ' A' ' 80' ' ' VAL . 6.9 tp -58.22 114.44 2.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.608 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 57.4 m -118.81 162.9 17.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 108.265 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 46' ' ' LYS . 4.0 p -127.68 113.11 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 21' ' ' VAL . . . -35.72 118.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.604 ' NE ' ' CZ ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -67.48 -51.09 55.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.604 ' CZ ' ' NE ' ' A' ' 23' ' ' ARG . 43.0 m-85 -139.8 127.39 21.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' TYR . 0.7 OUTLIER -38.91 120.69 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.989 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -135.87 147.69 48.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.35 118.43 8.31 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.407 ' HB2' ' HA ' ' A' ' 36' ' ' PRO . 18.1 Cg_endo -75.06 -30.99 6.5 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.79 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.61 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 4.0 m-85 -86.25 32.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -111.89 -24.34 10.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.04 -173.55 22.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.486 1.116 . . . . 0.0 111.059 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.2 Cg_endo -75.01 0.27 9.11 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.9 m-20 -38.42 119.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -80.73 -5.6 57.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.323 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.724 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -137.73 59.88 22.15 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.61 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.4 Cg_endo -74.98 -34.52 3.77 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 1.9 pt-20 -60.96 -28.25 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.724 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -59.0 -46.92 86.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.262 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -82.59 -176.04 6.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.647 HD13 ' HG ' ' A' ' 64' ' ' LEU . 12.3 mt -129.42 141.19 40.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 90.95 1.05 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.698 HD21 HG13 ' A' ' 72' ' ' VAL . 10.5 mt -63.48 149.74 45.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.555 ' O ' ' C ' ' A' ' 44' ' ' ALA . 15.7 m -139.53 96.55 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.44 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.555 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -27.11 108.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.495 ' O ' ' CG2' ' A' ' 21' ' ' VAL . . . 114.19 -45.57 1.29 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.664 ' O ' HG23 ' A' ' 21' ' ' VAL . 7.1 mttt -46.47 171.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.462 ' HA ' ' O ' ' A' ' 20' ' ' CYS . 72.7 m-85 -132.96 144.47 50.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.654 HD12 ' HA3' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -145.56 160.29 41.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.108 . . . . 0.0 109.327 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 63' ' ' GLU . 71.7 m-85 -116.57 126.89 53.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.632 HG11 ' CD1' ' A' ' 60' ' ' TYR . 1.3 t -98.65 103.39 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.574 ' CD1' HG12 ' A' ' 17' ' ' VAL . 4.9 m-85 -69.19 121.15 16.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 18' ' ' HIS . . . 81.54 -118.36 4.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.477 ' CG ' ' CA ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -151.72 -165.38 2.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 0.757 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.7 mtm -37.29 145.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -90.18 178.77 6.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -62.7 -25.68 68.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.343 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.84 -20.73 21.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 111.98 -18.01 24.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -69.69 166.64 18.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 0.723 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.632 ' CD1' HG11 ' A' ' 50' ' ' VAL . 2.0 m-85 -103.83 119.76 39.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -69.89 58.12 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.654 ' HA3' HD12 ' A' ' 48' ' ' LEU . . . -58.41 152.93 28.93 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.9 tm-20 -121.69 115.36 22.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.647 ' HG ' HD13 ' A' ' 40' ' ' LEU . 5.6 mt -54.51 -172.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.1 mt -85.83 -40.48 15.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.1 -7.15 47.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.21 -0.74 37.86 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.551 1.157 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.509 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -56.95 121.41 9.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 0.804 . . . . 0.0 110.302 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.503 ' NH2' ' CZ ' ' A' ' 13' ' ' TYR . 51.9 mmm-85 -108.42 150.32 27.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 174.76 -175.63 46.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 38' ' ' ALA . 71.1 mt -83.98 154.95 23.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.698 HG13 HD21 ' A' ' 42' ' ' LEU . 30.6 t -151.46 132.4 7.54 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.698 ' HD2' HD11 ' A' ' 42' ' ' LEU . 18.2 Cg_endo -74.97 133.78 17.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' A' ' 60' ' ' TYR . 40.0 t -70.48 -2.92 15.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.006 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -97.09 1.77 50.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.559 ' O ' HD13 ' A' ' 42' ' ' LEU . 5.7 m-85 -137.53 39.41 2.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.492 HG11 ' CG1' ' A' ' 72' ' ' VAL . 10.8 m -154.64 151.35 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.506 ' HB3' HG12 ' A' ' 21' ' ' VAL . 0.3 OUTLIER -135.7 107.61 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.608 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 57.5 m-85 -52.28 86.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.625 HG13 ' HG ' ' A' ' 19' ' ' LEU . 2.1 p -68.37 169.84 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.572 ' N ' HG22 ' A' ' 80' ' ' VAL . 22.2 pt20 -113.49 128.4 56.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -52.75 16.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 51.72 99.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.96 -50.93 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 56.29 91.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.987 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.37 -53.94 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.01 175.93 6.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.83 170.74 15.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.74 125.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.039 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.9 t -173.95 144.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.4 t -39.44 157.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.97 117.2 3.43 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.441 1.088 . . . . 0.0 111.029 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.4 42.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.446 1.761 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.8 m 60.23 92.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.979 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.24 127.45 3.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.37 -58.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 0.0 109.974 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 p -132.92 160.58 36.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.88 -114.91 1.56 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -169.15 -57.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.07 172.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' C ' HG23 ' A' ' 8' ' ' THR . . . -98.91 -76.93 1.29 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.416 HG23 ' C ' ' A' ' 7' ' ' GLY . 81.1 p -151.2 -174.2 4.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 110.452 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' GLN . 7.6 t 62.14 173.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.63 -61.33 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' SER . 52.3 mt-30 -134.09 139.7 46.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.274 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.56 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 17.9 mtt180 -79.94 161.55 25.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.56 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 15.4 p90 37.63 40.4 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.4 p -90.77 -54.15 4.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.38 165.37 0.04 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.51 162.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 0.755 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.699 ' CG2' ' CE2' ' A' ' 51' ' ' TYR . 3.5 t -106.76 147.23 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.484 ' HB2' HG13 ' A' ' 50' ' ' VAL . 96.8 m-70 -129.67 82.97 2.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.573 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.609 ' HG ' HG13 ' A' ' 80' ' ' VAL . 5.4 tp -52.66 122.75 9.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.632 ' SG ' ' CD1' ' A' ' 79' ' ' PHE . 57.1 m -122.26 159.64 26.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.326 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 78' ' ' ASP . 4.9 p -126.88 109.9 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 42' ' ' LEU . . . -39.86 134.36 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.441 ' HB3' ' CD2' ' A' ' 24' ' ' TYR . 34.3 ttt180 -92.4 -29.75 16.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 23' ' ' ARG . 38.3 m-85 -146.32 130.27 17.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -45.58 137.24 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.998 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.512 ' HB3' ' HB2' ' A' ' 42' ' ' LEU . 10.4 t80 -134.04 153.64 51.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.432 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -150.12 95.69 3.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -24.16 13.15 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.045 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.621 ' CE1' ' HG2' ' A' ' 36' ' ' PRO . 2.0 m-85 -90.86 26.09 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.59 -14.0 14.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.39 -178.37 21.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' ASN . 18.4 Cg_endo -75.0 -2.57 12.72 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.0 m-20 -39.47 118.27 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -78.89 -2.63 40.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.751 ' ND2' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -138.7 60.18 18.73 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.621 ' HG2' ' CE1' ' A' ' 29' ' ' PHE . 18.1 Cg_endo -75.0 -33.04 4.88 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.486 1.782 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 38' ' ' ALA . 3.1 pt-20 -63.72 -27.25 69.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.751 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -60.11 -15.31 22.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -120.03 175.71 5.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.838 HD13 ' HG ' ' A' ' 64' ' ' LEU . 10.9 mt -123.39 136.85 27.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 40' ' ' LEU . 18.4 Cg_endo -75.03 88.12 1.27 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.69 HD21 ' HD2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -55.66 165.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.639 ' O ' ' C ' ' A' ' 44' ' ' ALA . 5.1 m -154.39 88.62 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.639 ' C ' ' O ' ' A' ' 43' ' ' THR . . . -17.58 108.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.488 ' O ' HG23 ' A' ' 21' ' ' VAL . . . 110.86 -43.52 1.7 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.48 ' CG ' ' HB ' ' A' ' 43' ' ' THR . 15.6 mttt -46.68 162.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.743 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.418 ' HB3' HD11 ' A' ' 19' ' ' LEU . 79.5 m-85 -125.6 147.03 49.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.728 HD11 HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -149.5 163.17 38.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.495 ' CE1' HD13 ' A' ' 19' ' ' LEU . 64.4 m-85 -115.87 114.3 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.666 HG21 ' HB3' ' A' ' 60' ' ' TYR . 1.2 p -104.25 121.42 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.699 ' CE2' ' CG2' ' A' ' 17' ' ' VAL . 51.8 m-85 -94.06 145.48 24.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.02 -178.01 22.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -80.91 -154.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 0.738 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -68.53 150.5 47.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -75.45 173.16 11.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -48.25 -33.78 9.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -93.59 -22.53 18.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.38 -25.97 5.87 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 71' ' ' LEU . 8.3 m-85 -51.11 155.24 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.666 ' HB3' HG21 ' A' ' 50' ' ' VAL . 2.0 m-85 -105.99 126.83 52.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.42 62.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 60' ' ' TYR . . . -66.1 153.34 51.85 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.1 tm-20 -125.26 116.03 21.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.261 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.838 ' HG ' HD13 ' A' ' 40' ' ' LEU . 5.4 mt -54.92 -171.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.351 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.2 mt -94.32 -6.88 43.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.152 . . . . 0.0 109.243 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -101.89 -6.17 23.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.7 4.85 42.53 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.487 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -64.38 120.37 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 0.733 . . . . 0.0 110.307 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -107.26 98.46 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.57 165.78 24.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' HB3' ' CD1' ' A' ' 59' ' ' PHE . 37.4 mt -63.91 162.65 13.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.282 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.963 HG12 HG11 ' A' ' 77' ' ' VAL . 81.1 t -155.76 122.71 2.7 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.765 ' O ' HG13 ' A' ' 77' ' ' VAL . 18.4 Cg_endo -75.0 129.77 12.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.838 ' HA ' HG22 ' A' ' 77' ' ' VAL . 32.4 t -69.2 -7.35 35.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -89.91 -1.76 58.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 5.1 m-85 -131.67 11.65 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.954 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.963 HG11 HG12 ' A' ' 72' ' ' VAL . 2.9 m -127.69 153.35 36.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.579 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.1 OUTLIER -135.23 107.36 7.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.632 ' CD1' ' SG ' ' A' ' 20' ' ' CYS . 3.9 m-85 -47.63 110.15 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.609 HG13 ' HG ' ' A' ' 19' ' ' LEU . 1.1 p -97.68 165.65 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.498 ' N ' ' CG2' ' A' ' 80' ' ' VAL . 1.6 mm-40 -113.71 -131.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 0.0 110.278 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 71.02 -68.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -132.64 87.31 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.06 -59.66 3.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.9 t 179.08 117.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.97 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.627 ' HD2' HD12 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -48.59 -24.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.348 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.627 HD12 ' HD2' ' A' ' 86' ' ' ARG . 1.6 mp -58.73 169.1 1.03 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.26 174.35 10.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.4 t -81.57 171.22 14.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.3 t -174.18 139.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.435 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 t -67.71 162.54 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -178.84 95.91 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 178.72 6.9 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 m -168.18 161.68 12.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.2 m 59.85 112.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 110.034 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.111 . . . . 0.0 110.958 179.993 . . . . . . . . 0 0 . 1 stop_ save_