data_1bqt_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 1bqt _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.04 54.69 0.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.71 -39.27 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.982 ' CB ' ' SG ' ' A' ' 52' ' ' CYS . 1.1 tt0 -96.2 14.15 25.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 43' ' ' ILE . 2.6 mt -112.06 -55.01 2.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.5 t -65.49 -44.32 94.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -75.53 -20.87 58.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.477 ' O ' ' CG2' ' A' ' 17' ' ' VAL . . . -62.59 -53.31 56.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -68.41 -32.99 73.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -8.92 57.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 7.8 t80 -130.87 1.71 4.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 13' ' ' ALA . 6.1 t -106.08 -22.01 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 1.057 ' SG ' ' N ' ' A' ' 23' ' ' PHE . 9.0 t -93.41 -23.43 18.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 108.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.58 -111.44 1.4 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -154.32 29.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 0.793 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.507 ' N ' ' CZ ' ' A' ' 23' ' ' PHE . 1.2 mtp180 163.4 77.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.609 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . 172.86 -44.57 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 1.057 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -31.25 98.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.777 . . . . 0.0 110.972 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 1.006 ' CD2' ' SG ' ' A' ' 61' ' ' CYS . 4.0 m-85 -88.4 88.58 7.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.66 90.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' TYR . 28.7 t-20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.509 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -63.27 -14.57 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.5 t -120.87 -7.73 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.538 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 21.8 m-20 -129.61 30.28 4.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -95.05 -83.08 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.414 ' C ' ' N ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -75.99 -14.0 60.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.85 -29.51 0.81 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 108.278 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -109.51 -67.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 49' ' ' PHE . 2.3 mtm-85 -177.47 33.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.41 90.02 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.982 ' SG ' ' CB ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -92.47 16.49 11.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 108.285 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -61.29 178.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' ARG . 5.5 mp -135.17 -107.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER 38.97 52.62 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? 179.72 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.283 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pp -83.82 -10.02 58.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -76.2 -4.9 44.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -113.11 1.62 15.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.07 -36.65 55.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 1.006 ' SG ' ' CD2' ' A' ' 24' ' ' TYR . 44.8 t -146.92 -162.41 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.559 ' N ' ' SG ' ' A' ' 61' ' ' CYS . . . 60.78 145.59 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 48' ' ' CYS . 1.6 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.721 ' N ' ' SG ' ' A' ' 48' ' ' CYS . . . 126.84 4.9 5.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.36 -15.91 40.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 1.063 ' CB ' ' SG ' ' A' ' 47' ' ' CYS . 2.0 mt-10 -88.89 39.61 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -124.43 -40.63 2.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.513 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 1.9 t -68.53 -60.14 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -2.5 16.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.546 ' CB ' ' CD1' ' A' ' 57' ' ' LEU . . . -79.3 -49.92 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.697 ' CD1' ' CD1' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -60.5 -33.2 72.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.492 ' N ' ' OE1' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -92.42 34.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.01 -63.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 t -64.26 -31.74 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -130.01 16.97 5.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 108.263 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -30.95 126.37 0.17 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 15.6 t0 84.35 16.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.401 ' CB ' ' O ' ' A' ' 20' ' ' ASP . 3.7 ptm180 164.69 48.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -149.88 86.48 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -131.94 -130.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.753 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.601 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 9.7 m-30 56.91 -95.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.697 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 1.6 p90 36.28 30.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' TYR . 1.6 t-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.499 ' O ' ' CG ' ' A' ' 46' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.498 ' N ' ' CD1' ' A' ' 43' ' ' ILE . 1.2 mm -83.93 1.75 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.42 ' CG1' ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER -105.47 -35.13 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.84 24.21 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 51' ' ' SER . 2.6 pp20? -137.99 -42.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 1.063 ' SG ' ' CB ' ' A' ' 9' ' ' GLU . 43.8 t -69.48 -35.74 75.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.721 ' SG ' ' N ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -91.18 19.52 5.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 108.3 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -127.49 44.74 2.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 69.32 15.25 8.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -125.92 22.26 7.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.969 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.821 ' SG ' ' O ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -65.82 -10.49 38.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -43.72 167.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.3 mp -99.6 31.86 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -41.41 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.607 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -73.75 -5.57 41.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.546 ' CD1' ' CB ' ' A' ' 13' ' ' ALA . 2.1 mm? -84.91 -26.74 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -13.21 12.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtt -78.16 -44.62 25.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.128 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.607 ' CE2' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -104.9 43.66 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.14 60.54 5.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.622 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . . . 46.88 -172.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 62' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.726 ' SG ' ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.43 95.99 1.85 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -173.94 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.94 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 5.6 mm-40 -75.61 82.5 2.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 9' ' ' GLU . 3.7 mt 163.5 -48.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.418 ' CG2' ' CD1' ' A' ' 43' ' ' ILE . 2.9 t -65.23 -42.92 95.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.24 -3.06 37.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.405 ' CB ' ' CB ' ' A' ' 57' ' ' LEU . . . -85.45 -63.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -55.98 -29.52 60.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -88.41 31.53 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -141.74 -58.16 0.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.1 t -78.71 -22.32 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.767 ' SG ' ' O ' ' A' ' 22' ' ' GLY . 1.6 m -133.58 19.36 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . -37.37 -35.71 0.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.21 26.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -29.35 8.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.767 ' O ' ' SG ' ' A' ' 18' ' ' CYS . . . 165.36 94.89 0.1 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 30.0 p90 -141.66 117.73 10.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -140.54 34.57 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.622 ' O ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -83.63 6.12 21.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' PHE . 3.2 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.418 ' CD1' ' CG2' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -56.05 -33.1 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 t -61.97 -40.21 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -124.87 67.61 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.89 -37.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 1.166 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 95.6 m -86.5 -26.94 24.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -75.36 -20.79 58.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.497 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -53.72 -62.83 1.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 49' ' ' PHE . 5.0 mtp180 -168.99 47.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 2.3 p 85.12 150.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 1.166 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -108.29 -175.3 2.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 108.283 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.45 -156.11 0.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 mp -135.48 24.46 3.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.8 -31.57 5.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -18.64 62.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.405 ' CB ' ' CB ' ' A' ' 13' ' ' ALA . 2.5 pp -71.11 -17.13 62.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -78.26 2.18 19.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.4 ' C ' ' SD ' ' A' ' 59' ' ' MET . 2.0 ppp? -104.54 -27.46 11.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.0 m-85 -73.98 -38.39 64.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.559 ' O ' ' C ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -45.94 97.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.593 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . . . -28.16 -69.57 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 62' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 48' ' ' CYS . 56.0 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.0 64.38 0.02 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 12' ' ' ASP . . . -159.69 -68.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 1.042 ' CB ' ' SG ' ' A' ' 47' ' ' CYS . 4.2 mm-40 -87.05 15.26 6.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -118.27 -38.99 3.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.445 ' CG1' ' NE2' ' A' ' 15' ' ' GLN . 2.1 t -98.08 -48.13 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 8' ' ' ALA . 1.3 t70 -65.63 -35.23 80.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.477 ' CB ' ' CD1' ' A' ' 57' ' ' LEU . . . -48.53 -53.16 19.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.833 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -69.2 -34.18 74.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.445 ' NE2' ' CG1' ' A' ' 11' ' ' VAL . 70.4 mt-30 -79.22 6.33 10.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -99.49 -66.46 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.505 ' CG2' ' OE1' ' A' ' 58' ' ' GLU . 2.8 t -77.99 -27.59 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 1.002 ' SG ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -94.08 1.34 56.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 108.339 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . -33.19 -40.23 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.91 33.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.778 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.75 -32.21 11.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.2 65.38 0.25 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.29 164.71 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.603 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 2.4 p90 -177.92 107.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.765 ' CZ ' ' CE2' ' A' ' 60' ' ' TYR . 1.7 m-85 -88.35 36.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.526 ' OD1' ' CD2' ' A' ' 24' ' ' TYR . 20.4 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.453 ' O ' ' NH2' ' A' ' 56' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.532 ' CG1' ' CE2' ' A' ' 60' ' ' TYR . 1.1 mm -131.37 5.09 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.799 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.454 ' CG1' ' CD1' ' A' ' 10' ' ' LEU . 58.4 t -108.55 -17.64 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -91.17 18.45 6.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.32 -60.82 1.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 1.042 ' SG ' ' CB ' ' A' ' 9' ' ' GLU . 88.0 m -93.47 34.33 1.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.529 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 14.7 t -85.28 -39.64 17.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -108.39 -79.69 0.58 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.5 ttp-105 -158.51 25.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.543 ' OG ' ' CD2' ' A' ' 49' ' ' PHE . 0.7 OUTLIER -97.24 25.67 5.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.955 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.927 ' SG ' ' CB ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -50.28 129.38 21.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -171.92 173.13 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.543 ' O ' ' C ' ' A' ' 55' ' ' ARG . 5.0 mp -129.2 -114.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.543 ' C ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER 26.23 47.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 54' ' ' LEU . 3.6 tmm_? 178.69 -53.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.624 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -74.54 -2.92 27.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.505 ' OE1' ' CG2' ' A' ' 17' ' ' VAL . 50.0 mm-40 -95.49 6.88 47.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.09 22.22 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.765 ' CE2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -139.39 22.18 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 1.002 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 2.7 p -175.72 102.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 108.327 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.806 ' CB ' ' O ' ' A' ' 61' ' ' CYS . . . 126.11 -52.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 144.7 73.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 7' ' ' GLY . . . 163.36 -36.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 0.724 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -52.31 -40.8 62.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.626 ' CD1' ' CE2' ' A' ' 25' ' ' PHE . 1.4 tm? -42.66 -51.02 5.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.8 t -51.48 -49.38 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -52.69 -64.55 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.517 ' CB ' ' OE1' ' A' ' 58' ' ' GLU . . . -34.84 -34.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.829 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 1.6 mt -72.36 -60.23 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' ASP . 32.4 mm-40 -40.49 -26.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.517 ' CE2' ' OD2' ' A' ' 53' ' ' ASP . 32.0 t80 -66.5 -75.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 111.016 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.451 ' CG2' ' CB ' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -66.75 -54.72 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.829 ' SG ' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -41.94 -52.69 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 108.282 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . 31.57 49.55 0.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 21' ' ' ARG . 1.8 m-20 158.93 49.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.518 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 28.58 50.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . -128.46 65.07 0.59 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.799 ' CA ' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -114.8 158.1 22.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -100.78 -73.29 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.626 ' CE2' ' CD1' ' A' ' 10' ' ' LEU . 0.9 OUTLIER 65.05 41.63 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.405 ' CD1' ' CE1' ' A' ' 25' ' ' PHE . 42.2 pt -65.22 -21.58 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -113.02 -2.54 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -119.24 21.29 12.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 51' ' ' SER . 14.8 pt-20 -96.93 -42.69 7.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.43 ' C ' ' N ' ' A' ' 49' ' ' PHE . 27.1 t -96.01 -24.87 16.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 108.322 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 t -43.7 -28.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 108.268 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.506 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 71.8 m-85 -97.4 -76.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.93 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 49' ' ' PHE . 1.7 mtt85 -167.87 29.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -127.13 97.41 4.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.42 16.34 22.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.282 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 1.7 t70 -139.9 -78.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.538 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER 89.61 -56.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER 86.73 -26.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.444 ' O ' ' CG ' ' A' ' 59' ' ' MET . 0.4 OUTLIER -100.11 -40.33 7.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.55 ' C ' ' CD1' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -70.01 -8.01 45.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.517 ' OE1' ' CB ' ' A' ' 13' ' ' ALA . 3.3 mm-40 -68.25 -21.25 64.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.444 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 2.2 ppp? -64.63 -10.42 26.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.427 ' CD1' ' O ' ' A' ' 57' ' ' LEU . 10.0 m-85 -70.1 -5.6 28.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.799 ' SG ' ' CA ' ' A' ' 23' ' ' PHE . 45.7 t -105.97 -139.58 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.557 ' N ' ' SG ' ' A' ' 61' ' ' CYS . . . -71.15 113.75 21.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 111.024 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.744 ' SG ' ' O ' ' A' ' 48' ' ' CYS . 10.9 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.646 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . -160.15 -102.49 0.18 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.646 ' CB ' ' O ' ' A' ' 7' ' ' GLY . . . 95.1 97.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -151.09 -43.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.507 ' CD2' ' CG1' ' A' ' 43' ' ' ILE . 17.2 tp -65.81 -36.87 84.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.503 ' CG1' ' NE2' ' A' ' 15' ' ' GLN . 86.7 t -40.05 -28.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' A' ' 10' ' ' LEU . 27.7 t70 -88.65 40.39 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -126.63 -46.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -87.54 -21.3 25.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.503 ' NE2' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -74.95 -5.07 41.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.63 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -127.01 -29.44 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.63 ' CG2' ' CZ ' ' A' ' 16' ' ' PHE . 3.9 t -79.71 -27.45 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.5 ' O ' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -132.99 21.89 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.327 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.5 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . -29.83 95.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.2 m-20 68.32 80.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 tpp85 -150.6 -45.67 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . 144.36 101.49 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.627 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -73.55 -170.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 111.021 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.636 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -162.3 -151.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 35.5 p90 37.82 93.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.572 ' CB ' ' O ' ' A' ' 25' ' ' PHE . 1.6 t-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.993 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 2.9 mp -61.14 -12.0 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.5 t -106.84 -59.04 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.44 -62.44 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' SER . 4.3 mm-40 -59.46 -22.32 61.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -59.67 -68.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.744 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 8.3 t -62.71 -11.57 18.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 108.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -77.26 7.75 4.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 51' ' ' SER . 2.0 ttm180 81.91 29.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 2.4 t 157.63 97.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.036 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -64.35 -14.24 55.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 108.312 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.767 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 82.8 m-20 119.71 -158.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -169.64 32.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -156.72 22.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.91 -29.73 4.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.686 ' CD2' ' CD2' ' A' ' 60' ' ' TYR . 10.7 mt -71.43 -12.79 61.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -65.96 -9.15 27.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -116.72 -12.37 10.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.063 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.686 ' CD2' ' CD2' ' A' ' 57' ' ' LEU . 2.0 m-30 -78.09 -27.12 48.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.52 ' SG ' ' CG1' ' A' ' 17' ' ' VAL . 20.5 m -34.32 98.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 108.304 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 22' ' ' GLY . . . -77.54 144.62 70.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.483 ' CG ' ' OE1' ' A' ' 9' ' ' GLU . 18.3 Cg_endo -75.41 155.75 41.12 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 121.898 1.732 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 63.21 23.35 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.89 158.2 22.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 6' ' ' CYS . 3.7 mm? 66.69 -101.73 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.353 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER 159.28 -40.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 108.309 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.04 54.69 0.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.71 -39.27 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.982 ' CB ' ' SG ' ' A' ' 52' ' ' CYS . 1.1 tt0 -96.2 14.15 25.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.509 ' CD1' ' O ' ' A' ' 43' ' ' ILE . 2.6 mt -112.06 -55.01 2.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 43.5 t -65.49 -44.32 94.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -75.53 -20.87 58.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.477 ' O ' ' CG2' ' A' ' 17' ' ' VAL . . . -62.59 -53.31 56.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -68.41 -32.99 73.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -8.92 57.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 7.8 t80 -130.87 1.71 4.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 13' ' ' ALA . 6.1 t -106.08 -22.01 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 1.057 ' SG ' ' N ' ' A' ' 23' ' ' PHE . 9.0 t -93.41 -23.43 18.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 108.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.58 -111.44 1.4 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -154.32 29.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 0.793 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.507 ' N ' ' CZ ' ' A' ' 23' ' ' PHE . 1.2 mtp180 163.4 77.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.609 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . 172.86 -44.57 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 1.057 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -31.25 98.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.777 . . . . 0.0 110.972 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 1.006 ' CD2' ' SG ' ' A' ' 61' ' ' CYS . 4.0 m-85 -88.4 88.58 7.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.435 ' C ' ' N ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -49.66 90.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' TYR . 28.7 t-20 43.01 27.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.6 tttt -61.58 -50.08 84.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 27' ' ' LYS . 18.4 Cg_endo -75.05 93.48 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 28' ' ' PRO . 3.1 p 58.61 130.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.407 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.591 ' O ' ' CG ' ' A' ' 31' ' ' TYR . . . -118.01 -148.59 8.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.103 . . . . 0.0 111.023 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.591 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 58.0 m-85 -163.96 75.34 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.8 11.97 27.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.78 59.04 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.96 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 35' ' ' SER . 0.3 OUTLIER 61.77 136.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 34' ' ' SER . 1.5 m 85.31 162.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 68.0 91.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 55.43 165.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.558 ' N ' ' CD ' ' A' ' 39' ' ' PRO . . . -170.87 49.42 0.12 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 80.57 2.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.81 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 41' ' ' THR . 1.0 OUTLIER 168.7 98.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 40' ' ' GLN . 3.0 m 83.34 -13.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.36 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' GLU . . . 35.67 43.72 0.6 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.509 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -63.27 -14.57 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.5 t -120.87 -7.73 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.538 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 21.8 m-20 -129.61 30.28 4.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -95.05 -83.08 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.414 ' C ' ' N ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -75.99 -14.0 60.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.85 -29.51 0.81 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 108.278 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -109.51 -67.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 49' ' ' PHE . 2.3 mtm-85 -177.47 33.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.41 90.02 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.982 ' SG ' ' CB ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -92.47 16.49 11.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 108.285 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -61.29 178.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' ARG . 5.5 mp -135.17 -107.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER 38.97 52.62 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? 179.72 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.283 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pp -83.82 -10.02 58.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -76.2 -4.9 44.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -113.11 1.62 15.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.07 -36.65 55.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 1.006 ' SG ' ' CD2' ' A' ' 24' ' ' TYR . 44.8 t -146.92 -162.41 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.559 ' N ' ' SG ' ' A' ' 61' ' ' CYS . . . 60.78 145.59 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -23.6 13.58 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 tp -176.67 153.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.486 ' CB ' ' CD ' ' A' ' 66' ' ' PRO . 12.5 tttt -47.96 -67.77 0.38 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 65' ' ' LYS . 18.2 Cg_endo -75.05 162.69 36.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.61 166.65 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp 67.82 139.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.8 m -57.85 -78.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.142 0 CA-C-O 116.988 -1.482 . . . . 0.0 109.282 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.35 152.19 38.88 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 121.963 1.775 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.445 ' O ' ' CG2' ' A' ' 4' ' ' THR . 36.1 tt0 -115.37 -5.17 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.445 ' CG2' ' O ' ' A' ' 3' ' ' GLU . 66.4 p -154.71 -156.98 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -173.14 120.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 1.6 p 159.38 -92.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 108.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.721 ' N ' ' SG ' ' A' ' 48' ' ' CYS . . . 126.84 4.9 5.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.36 -15.91 40.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 1.063 ' CB ' ' SG ' ' A' ' 47' ' ' CYS . 2.0 mt-10 -88.89 39.61 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -124.43 -40.63 2.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.513 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 1.9 t -68.53 -60.14 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -2.5 16.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.546 ' CB ' ' CD1' ' A' ' 57' ' ' LEU . . . -79.3 -49.92 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.697 ' CD1' ' CD1' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -60.5 -33.2 72.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.492 ' N ' ' OE1' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -92.42 34.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.01 -63.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 t -64.26 -31.74 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -130.01 16.97 5.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 108.263 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -30.95 126.37 0.17 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 15.6 t0 84.35 16.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.401 ' CB ' ' O ' ' A' ' 20' ' ' ASP . 3.7 ptm180 164.69 48.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.441 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -149.88 86.48 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -131.94 -130.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.753 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.601 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 9.7 m-30 56.91 -95.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.697 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 1.6 p90 36.28 30.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' TYR . 1.6 t-20 -135.19 17.98 3.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.19 89.81 26.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.483 ' O ' ' CG2' ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.03 109.03 2.85 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 28' ' ' PRO . 2.2 p -159.42 126.2 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.454 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.59 ' C ' ' CG ' ' A' ' 31' ' ' TYR . . . 116.67 32.31 1.62 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.59 ' CG ' ' C ' ' A' ' 30' ' ' GLY . 7.4 m-85 -163.84 75.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.11 -126.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -47.55 103.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.064 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 p -179.34 128.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.996 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -80.71 117.88 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.02 95.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 179.72 62.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -164.96 160.28 14.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 114.91 4.13 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 178.57 81.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 53.8 m 64.87 10.25 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.499 ' O ' ' CG ' ' A' ' 46' ' ' GLU . . . -90.63 6.45 82.12 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.498 ' N ' ' CD1' ' A' ' 43' ' ' ILE . 1.2 mm -83.93 1.75 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 41' ' ' THR . 0.1 OUTLIER -105.47 -35.13 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.84 24.21 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 51' ' ' SER . 2.6 pp20? -137.99 -42.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 1.063 ' SG ' ' CB ' ' A' ' 9' ' ' GLU . 43.8 t -69.48 -35.74 75.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.721 ' SG ' ' N ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -91.18 19.52 5.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 108.3 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -127.49 44.74 2.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 69.32 15.25 8.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -125.92 22.26 7.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.969 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.821 ' SG ' ' O ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER -65.82 -10.49 38.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -43.72 167.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.3 mp -99.6 31.86 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -41.41 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.607 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -73.75 -5.57 41.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.546 ' CD1' ' CB ' ' A' ' 13' ' ' ALA . 2.1 mm? -84.91 -26.74 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -13.21 12.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtt -78.16 -44.62 25.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.128 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.607 ' CE2' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -104.9 43.66 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.14 60.54 5.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.622 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . . . 46.88 -172.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.622 ' CD ' ' CB ' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.01 -13.33 21.42 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -40.48 154.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -126.59 91.28 47.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 93.62 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.14 115.21 11.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -160.93 163.53 31.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.7 p -60.71 -43.71 97.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.018 -1.467 . . . . 0.0 109.285 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.72 38.97 0.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 121.907 1.738 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -176.3 36.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 110.244 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.7 p -91.51 -136.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.635 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -89.69 16.13 8.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.726 ' SG ' ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER 85.46 90.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.313 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.43 95.99 1.85 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -173.94 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.94 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 5.6 mm-40 -75.61 82.5 2.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.502 ' CB ' ' O ' ' A' ' 9' ' ' GLU . 3.7 mt 163.5 -48.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.418 ' CG2' ' CD1' ' A' ' 43' ' ' ILE . 2.9 t -65.23 -42.92 95.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.24 -3.06 37.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.405 ' CB ' ' CB ' ' A' ' 57' ' ' LEU . . . -85.45 -63.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -55.98 -29.52 60.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -88.41 31.53 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -141.74 -58.16 0.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.1 t -78.71 -22.32 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.767 ' SG ' ' O ' ' A' ' 22' ' ' GLY . 1.6 m -133.58 19.36 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . -37.37 -35.71 0.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.21 26.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -29.35 8.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.767 ' O ' ' SG ' ' A' ' 18' ' ' CYS . . . 165.36 94.89 0.1 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 30.0 p90 -141.66 117.73 10.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -140.54 34.57 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.622 ' O ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -83.63 6.12 21.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' PHE . 3.2 m-20 -39.58 98.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' CA ' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -139.62 55.15 6.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.564 ' O ' ' O ' ' A' ' 29' ' ' THR . 18.5 Cg_endo -74.93 97.22 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 111.046 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.564 ' O ' ' O ' ' A' ' 28' ' ' PRO . 31.6 p 50.95 116.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.369 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.621 ' O ' ' CG ' ' A' ' 31' ' ' TYR . . . 136.76 46.73 0.08 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.621 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 50.3 m-85 -164.74 91.74 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 0.745 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' TYR . . . -35.9 95.65 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.1 t 38.27 90.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 33' ' ' SER . 0.1 OUTLIER 39.69 91.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.964 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 36' ' ' ARG . 92.8 p -154.56 99.26 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER 81.11 127.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 75.8 0.83 3.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.524 ' N ' ' CD ' ' A' ' 39' ' ' PRO . . . 177.11 51.3 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.98 125.36 9.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.456 1.766 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.42 ' C ' ' OG1' ' A' ' 41' ' ' THR . 6.2 tt0 77.51 33.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.663 ' CG2' ' CZ ' ' A' ' 60' ' ' TYR . 2.6 m -154.95 -74.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 41' ' ' THR . . . 33.93 80.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.418 ' CD1' ' CG2' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -56.05 -33.1 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 t -61.97 -40.21 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -124.87 67.61 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 41' ' ' THR . 0.7 OUTLIER -177.89 -37.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 1.166 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 95.6 m -86.5 -26.94 24.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -75.36 -20.79 58.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.497 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -53.72 -62.83 1.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 49' ' ' PHE . 5.0 mtp180 -168.99 47.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 2.3 p 85.12 150.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 1.166 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -108.29 -175.3 2.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 108.283 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.45 -156.11 0.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 mp -135.48 24.46 3.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.8 -31.57 5.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -18.64 62.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.405 ' CB ' ' CB ' ' A' ' 13' ' ' ALA . 2.5 pp -71.11 -17.13 62.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -78.26 2.18 19.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.473 ' CE ' ' OG1' ' A' ' 41' ' ' THR . 2.0 ppp? -104.54 -27.46 11.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.663 ' CZ ' ' CG2' ' A' ' 41' ' ' THR . 5.0 m-85 -73.98 -38.39 64.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.559 ' O ' ' C ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -45.94 97.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.593 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . . . -28.16 -69.57 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.593 ' CD ' ' CB ' ' A' ' 62' ' ' ALA . 18.5 Cg_endo -74.96 121.27 6.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.43 ' CD2' ' C ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -90.04 143.51 26.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.5 146.92 0.64 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 84.25 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 60.89 151.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.69 116.08 31.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.28 41.15 32.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 117.048 -1.453 . . . . 0.0 109.311 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.985 ' CA ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.404 ' O ' ' CG ' ' A' ' 3' ' ' GLU . 18.2 Cg_endo -74.86 82.49 1.96 Allowed 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.111 1.874 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 4' ' ' THR . 5.6 mt-10 -164.82 38.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 3' ' ' GLU . 72.6 p 46.57 97.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.374 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.994 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 74.5 mt -154.64 -129.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.994 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 56.0 m 148.13 73.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 108.288 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.0 64.38 0.02 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 12' ' ' ASP . . . -159.69 -68.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 1.042 ' CB ' ' SG ' ' A' ' 47' ' ' CYS . 4.2 mm-40 -87.05 15.26 6.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.507 ' CB ' ' O ' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -118.27 -38.99 3.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.445 ' CG1' ' NE2' ' A' ' 15' ' ' GLN . 2.1 t -98.08 -48.13 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 8' ' ' ALA . 1.3 t70 -65.63 -35.23 80.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.477 ' CB ' ' CD1' ' A' ' 57' ' ' LEU . . . -48.53 -53.16 19.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.833 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -69.2 -34.18 74.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.445 ' NE2' ' CG1' ' A' ' 11' ' ' VAL . 70.4 mt-30 -79.22 6.33 10.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -99.49 -66.46 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.505 ' CG2' ' OE1' ' A' ' 58' ' ' GLU . 2.8 t -77.99 -27.59 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 1.002 ' SG ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -94.08 1.34 56.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 108.339 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . -33.19 -40.23 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.91 33.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.778 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.75 -32.21 11.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.2 65.38 0.25 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.29 164.71 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.603 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 2.4 p90 -177.92 107.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.765 ' CZ ' ' CE2' ' A' ' 60' ' ' TYR . 1.7 m-85 -88.35 36.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.526 ' OD1' ' CD2' ' A' ' 24' ' ' TYR . 20.4 p-10 -74.87 -20.42 59.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 141.76 53.75 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.493 ' O ' ' CG2' ' A' ' 29' ' ' THR . 18.3 Cg_endo -74.97 136.29 20.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.54 1.81 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 28' ' ' PRO . 1.6 p -160.69 128.81 4.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.595 ' C ' ' CG ' ' A' ' 31' ' ' TYR . . . 154.77 -22.62 0.62 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.62 ' N ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 168.03 88.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.993 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -97.49 47.41 1.58 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.0 m 73.17 92.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 109.968 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t 60.96 85.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 p 176.48 121.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -105.66 124.73 50.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.81 172.42 18.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -43.01 144.2 1.12 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.95 5.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.469 ' O ' ' CB ' ' A' ' 41' ' ' THR . 10.5 mt-30 53.53 60.8 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.497 ' O ' ' CG1' ' A' ' 43' ' ' ILE . 0.9 OUTLIER 168.0 -42.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.403 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' O ' ' NH2' ' A' ' 56' ' ' ARG . . . 39.59 30.72 0.2 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.532 ' CG1' ' CE2' ' A' ' 60' ' ' TYR . 1.1 mm -131.37 5.09 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.799 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.454 ' CG1' ' CD1' ' A' ' 10' ' ' LEU . 58.4 t -108.55 -17.64 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -91.17 18.45 6.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.32 -60.82 1.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 1.042 ' SG ' ' CB ' ' A' ' 9' ' ' GLU . 88.0 m -93.47 34.33 1.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.529 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 14.7 t -85.28 -39.64 17.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -108.39 -79.69 0.58 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.5 ttp-105 -158.51 25.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.543 ' OG ' ' CD2' ' A' ' 49' ' ' PHE . 0.7 OUTLIER -97.24 25.67 5.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.955 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.985 ' SG ' ' CA ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -50.28 129.38 21.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -171.92 173.13 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.543 ' O ' ' C ' ' A' ' 55' ' ' ARG . 5.0 mp -129.2 -114.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.543 ' C ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER 26.23 47.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 54' ' ' LEU . 3.6 tmm_? 178.69 -53.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.624 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -74.54 -2.92 27.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.505 ' OE1' ' CG2' ' A' ' 17' ' ' VAL . 50.0 mm-40 -95.49 6.88 47.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.09 22.22 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.765 ' CE2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -139.39 22.18 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 1.002 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 2.7 p -175.72 102.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 108.327 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.806 ' CB ' ' O ' ' A' ' 61' ' ' CYS . . . 126.11 -52.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.03 11.35 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 63' ' ' PRO . 0.3 OUTLIER -36.85 149.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -176.05 90.5 0.27 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 168.82 23.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 62.61 82.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.12 138.7 35.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.46 96.11 8.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.076 -1.44 . . . . 0.0 109.293 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.502 ' O ' ' CG2' ' A' ' 4' ' ' THR . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.68 -176.14 2.65 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 121.833 1.688 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 68.54 28.73 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.628 ' OG1' ' SG ' ' A' ' 47' ' ' CYS . 12.6 p -82.19 -143.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.725 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 6.4 mt -107.83 -109.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.725 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 24.3 m -165.6 83.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.347 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 144.7 73.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 7' ' ' GLY . . . 163.36 -36.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 0.724 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' OE1' ' O ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -52.31 -40.8 62.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.626 ' CD1' ' CE2' ' A' ' 25' ' ' PHE . 1.4 tm? -42.66 -51.02 5.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 12.8 t -51.48 -49.38 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -52.69 -64.55 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.517 ' CB ' ' OE1' ' A' ' 58' ' ' GLU . . . -34.84 -34.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.829 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 1.6 mt -72.36 -60.23 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 12' ' ' ASP . 32.4 mm-40 -40.49 -26.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.517 ' CE2' ' OD2' ' A' ' 53' ' ' ASP . 32.0 t80 -66.5 -75.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 111.016 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.451 ' CG2' ' CB ' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -66.75 -54.72 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.829 ' SG ' ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -41.94 -52.69 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 108.282 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . 31.57 49.55 0.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 21' ' ' ARG . 1.8 m-20 158.93 49.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.518 ' C ' ' O ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER 28.58 50.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . -128.46 65.07 0.59 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.799 ' CA ' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -114.8 158.1 22.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -100.78 -73.29 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.626 ' CE2' ' CD1' ' A' ' 10' ' ' LEU . 0.9 OUTLIER 65.05 41.63 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 27' ' ' LYS . 1.2 m-20 -120.95 12.14 11.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 26' ' ' ASN . 9.6 mmtp 60.11 152.08 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 117.55 4.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.768 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.403 ' CG2' ' N ' ' A' ' 30' ' ' GLY . 1.7 t -133.75 -163.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.579 ' C ' ' CG ' ' A' ' 31' ' ' TYR . . . 143.3 -14.54 2.3 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.614 ' N ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 167.52 87.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 111.015 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.47 95.03 1.82 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 167.59 135.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.42 92.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 m -167.0 139.81 3.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.1 160.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.409 ' CD ' ' OG1' ' A' ' 41' ' ' THR . 0.1 OUTLIER 55.39 172.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.346 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.614 ' CB ' ' CD ' ' A' ' 39' ' ' PRO . . . -115.96 -70.98 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.614 ' CD ' ' CB ' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.01 47.38 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 48.62 62.29 2.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.331 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 45' ' ' ASP . 25.2 m 70.6 14.81 7.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.367 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.16 -36.68 85.83 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.405 ' CD1' ' CE1' ' A' ' 25' ' ' PHE . 42.2 pt -65.22 -21.58 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -113.02 -2.54 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 41' ' ' THR . 90.1 m-20 -119.24 21.29 12.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 51' ' ' SER . 14.8 pt-20 -96.93 -42.69 7.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.628 ' SG ' ' OG1' ' A' ' 4' ' ' THR . 27.1 t -96.01 -24.87 16.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 108.322 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 t -43.7 -28.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 108.268 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.506 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 71.8 m-85 -97.4 -76.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.93 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 49' ' ' PHE . 1.7 mtt85 -167.87 29.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -127.13 97.41 4.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -109.42 16.34 22.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.282 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 1.7 t70 -139.9 -78.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.538 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER 89.61 -56.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER 86.73 -26.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.444 ' O ' ' CG ' ' A' ' 59' ' ' MET . 0.4 OUTLIER -100.11 -40.33 7.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.55 ' C ' ' CD1' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -70.01 -8.01 45.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.517 ' OE1' ' CB ' ' A' ' 13' ' ' ALA . 3.3 mm-40 -68.25 -21.25 64.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.444 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 2.2 ppp? -64.63 -10.42 26.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.427 ' CD1' ' O ' ' A' ' 57' ' ' LEU . 10.0 m-85 -70.1 -5.6 28.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.799 ' SG ' ' CA ' ' A' ' 23' ' ' PHE . 45.7 t -105.97 -139.58 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.557 ' N ' ' SG ' ' A' ' 61' ' ' CYS . . . -71.15 113.75 21.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.73 15.74 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.16 8.9 18.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -61.3 171.24 1.3 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 150.48 38.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.789 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -172.59 145.02 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -164.85 87.0 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.89 -82.81 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.011 -1.471 . . . . 0.0 109.296 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' A' ' 3' ' ' GLU . 18.4 Cg_endo -74.66 176.07 10.27 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 121.843 1.695 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.498 ' O ' ' OG1' ' A' ' 4' ' ' THR . 19.6 mt-10 83.98 4.69 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 1.095 ' CG2' ' SG ' ' A' ' 52' ' ' CYS . 5.8 p 58.49 124.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tt -107.81 8.95 29.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.744 ' SG ' ' O ' ' A' ' 48' ' ' CYS . 10.9 p -162.85 29.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 108.327 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.646 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . -160.15 -102.49 0.18 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.646 ' CB ' ' O ' ' A' ' 7' ' ' GLY . . . 95.1 97.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -151.09 -43.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.507 ' CD2' ' CG1' ' A' ' 43' ' ' ILE . 17.2 tp -65.81 -36.87 84.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.503 ' CG1' ' NE2' ' A' ' 15' ' ' GLN . 86.7 t -40.05 -28.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' A' ' 10' ' ' LEU . 27.7 t70 -88.65 40.39 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 10' ' ' LEU . . . -126.63 -46.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -87.54 -21.3 25.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.503 ' NE2' ' CG1' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -74.95 -5.07 41.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.63 ' CZ ' ' CG2' ' A' ' 17' ' ' VAL . 0.1 OUTLIER -127.01 -29.44 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.63 ' CG2' ' CZ ' ' A' ' 16' ' ' PHE . 3.9 t -79.71 -27.45 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.5 ' O ' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -132.99 21.89 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.327 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.5 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . -29.83 95.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.2 m-20 68.32 80.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.1 tpp85 -150.6 -45.67 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 62' ' ' ALA . . . 144.36 101.49 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.627 ' N ' ' CD1' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -73.55 -170.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 111.021 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.636 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -162.3 -151.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 35.5 p90 37.82 93.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.572 ' CB ' ' O ' ' A' ' 25' ' ' PHE . 1.6 t-20 88.07 -28.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -47.44 -57.34 9.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 27' ' ' LYS . 18.4 Cg_endo -74.99 146.42 32.67 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 175.99 150.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.542 ' C ' ' CG ' ' A' ' 31' ' ' TYR . . . 165.53 106.84 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.542 ' CG ' ' C ' ' A' ' 30' ' ' GLY . 0.7 OUTLIER 70.31 85.08 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 111.013 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.85 101.93 2.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -87.77 163.29 16.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 109.992 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.65 130.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.58 134.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 mmt-85 -151.67 160.67 43.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.507 ' O ' ' CB ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -69.54 -152.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 37' ' ' ARG . . . 84.24 -179.29 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.05 112.99 3.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.548 ' O ' ' CB ' ' A' ' 41' ' ' THR . 0.5 OUTLIER -135.02 63.82 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.339 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.548 ' CB ' ' O ' ' A' ' 40' ' ' GLN . 2.0 m 86.14 -22.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.43 -35.89 4.7 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.993 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 2.9 mp -61.14 -12.0 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.5 t -106.84 -59.04 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.44 -62.44 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' SER . 4.3 mm-40 -59.46 -22.32 61.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -59.67 -68.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.744 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 8.3 t -62.71 -11.57 18.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 108.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -77.26 7.75 4.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 51' ' ' SER . 2.0 ttm180 81.91 29.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 2.4 t 157.63 97.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.036 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -64.35 -14.24 55.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 108.312 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.767 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 82.8 m-20 119.71 -158.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -169.64 32.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -156.72 22.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.91 -29.73 4.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 110.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.686 ' CD2' ' CD2' ' A' ' 60' ' ' TYR . 10.7 mt -71.43 -12.79 61.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -65.96 -9.15 27.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -116.72 -12.37 10.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.063 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.686 ' CD2' ' CD2' ' A' ' 57' ' ' LEU . 2.0 m-30 -78.09 -27.12 48.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.52 ' SG ' ' CG1' ' A' ' 17' ' ' VAL . 20.5 m -34.32 98.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 108.304 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 22' ' ' GLY . . . -77.54 144.62 70.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 129.24 12.12 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 tp -43.77 144.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.91 157.1 0.24 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 97.21 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.31 82.09 1.87 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.07 158.28 43.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.1 p 42.9 81.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.959 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.041 -1.457 . . . . 0.0 109.272 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.49 ' CB ' ' HA ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.04 54.69 0.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.71 -39.27 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.982 ' CB ' ' SG ' ' A' ' 52' ' ' CYS . 1.1 tt0 -96.2 14.15 25.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 9' ' ' GLU . 2.6 mt -112.06 -55.01 2.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.507 HG12 ' OE1' ' A' ' 15' ' ' GLN . 43.5 t -65.49 -44.32 94.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 16' ' ' PHE . 1.8 t70 -75.53 -20.87 58.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.808 ' HB2' ' O ' ' A' ' 9' ' ' GLU . . . -62.59 -53.31 56.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.727 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -68.41 -32.99 73.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.507 ' OE1' HG12 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -71.56 -8.92 57.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 7.8 t80 -130.87 1.71 4.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.789 HG21 HD11 ' A' ' 57' ' ' LEU . 6.1 t -106.08 -22.01 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 1.064 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 9.0 t -93.41 -23.43 18.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 108.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.58 -111.44 1.4 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -154.32 29.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 0.793 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.507 ' N ' ' CZ ' ' A' ' 23' ' ' PHE . 1.2 mtp180 163.4 77.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.609 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . 172.86 -44.57 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 1.057 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -31.25 98.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.777 . . . . 0.0 110.972 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 1.006 ' CD2' ' SG ' ' A' ' 61' ' ' CYS . 4.0 m-85 -88.4 88.58 7.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.66 90.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' TYR . 28.7 t-20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.636 ' CD1' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -63.27 -14.57 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.5 t -120.87 -7.73 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.538 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 21.8 m-20 -129.61 30.28 4.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -95.05 -83.08 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.562 ' HB2' HD21 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -75.99 -14.0 60.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.522 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -44.85 -29.51 0.81 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 108.278 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -109.51 -67.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 49' ' ' PHE . 2.3 mtm-85 -177.47 33.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.41 90.02 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.982 ' SG ' ' CB ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -92.47 16.49 11.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 108.285 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.489 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.2 p30 -61.29 178.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.988 HD23 HD11 ' A' ' 57' ' ' LEU . 5.5 mp -135.17 -107.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER 38.97 52.62 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? 179.72 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.283 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.988 HD11 HD23 ' A' ' 54' ' ' LEU . 2.6 pp -83.82 -10.02 58.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.508 ' CD ' HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -76.2 -4.9 44.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -113.11 1.62 15.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.07 -36.65 55.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 1.006 ' SG ' ' CD2' ' A' ' 24' ' ' TYR . 44.8 t -146.92 -162.41 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 1.064 ' HB2' ' HA ' ' A' ' 18' ' ' CYS . . . 60.78 145.59 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 48' ' ' CYS . 1.6 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.855 ' O ' HG12 ' A' ' 44' ' ' VAL . . . 126.84 4.9 5.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.36 -15.91 40.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 1.063 ' CB ' ' SG ' ' A' ' 47' ' ' CYS . 2.0 mt-10 -88.89 39.61 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.017 HD13 HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -124.43 -40.63 2.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.971 ' N ' HD23 ' A' ' 10' ' ' LEU . 1.9 t -68.53 -60.14 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -71.38 -2.5 16.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.843 ' HB1' HD11 ' A' ' 57' ' ' LEU . . . -79.3 -49.92 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.697 ' CD1' ' CD1' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -60.5 -33.2 72.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.492 ' OE1' ' N ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -92.42 34.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.746 ' HD2' HD21 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -136.01 -63.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.951 HG21 ' HB2' ' A' ' 57' ' ' LEU . 24.2 t -64.26 -31.74 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.53 ' SG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -130.01 16.97 5.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 108.263 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -30.95 126.37 0.17 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 15.6 t0 84.35 16.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 18' ' ' CYS . 3.7 ptm180 164.69 48.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.53 ' HA3' ' SG ' ' A' ' 18' ' ' CYS . . . -149.88 86.48 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.439 ' O ' ' HB2' ' A' ' 24' ' ' TYR . 13.1 m-85 -131.94 -130.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.753 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.601 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 9.7 m-30 56.91 -95.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.697 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 1.6 p90 36.28 30.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' TYR . 60.1 t30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.499 ' O ' ' CG ' ' A' ' 46' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.874 ' HB ' HD12 ' A' ' 10' ' ' LEU . 1.2 mm -83.93 1.75 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.017 HG13 HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -105.47 -35.13 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.84 24.21 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.52 ' CG ' ' HA ' ' A' ' 43' ' ' ILE . 2.6 pp20? -137.99 -42.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 1.063 ' SG ' ' CB ' ' A' ' 9' ' ' GLU . 43.8 t -69.48 -35.74 75.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.721 ' SG ' ' N ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -91.18 19.52 5.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 108.3 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -127.49 44.74 2.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 69.32 15.25 8.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -125.92 22.26 7.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.969 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.908 ' SG ' ' HB2' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -65.82 -10.49 38.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -43.72 167.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.746 HD21 ' HD2' ' A' ' 16' ' ' PHE . 10.3 mp -99.6 31.86 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -41.41 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.607 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -73.75 -5.57 41.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.951 ' HB2' HG21 ' A' ' 17' ' ' VAL . 2.1 mm? -84.91 -26.74 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -13.21 12.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtt -78.16 -44.62 25.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.128 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.607 ' CE2' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -104.9 43.66 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.14 60.54 5.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.97 ' HB1' ' HD2' ' A' ' 63' ' ' PRO . . . 46.88 -172.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.97 ' HD2' ' HB1' ' A' ' 62' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.726 ' SG ' ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.439 ' HA2' ' CB ' ' A' ' 47' ' ' CYS . . . 117.43 95.99 1.85 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -173.94 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.94 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 5.6 mm-40 -75.61 82.5 2.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.909 HD12 ' SG ' ' A' ' 47' ' ' CYS . 3.7 mt 163.5 -48.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.525 ' CG2' HD12 ' A' ' 43' ' ' ILE . 2.9 t -65.23 -42.92 95.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.24 -3.06 37.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.595 ' HB1' ' CB ' ' A' ' 57' ' ' LEU . . . -85.45 -63.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -55.98 -29.52 60.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.524 ' OE1' HG12 ' A' ' 11' ' ' VAL . 41.0 mt-30 -88.41 31.53 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -141.74 -58.16 0.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.1 t -78.71 -22.32 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.767 ' SG ' ' O ' ' A' ' 22' ' ' GLY . 1.6 m -133.58 19.36 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . -37.37 -35.71 0.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.21 26.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -29.35 8.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.767 ' O ' ' SG ' ' A' ' 18' ' ' CYS . . . 165.36 94.89 0.1 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 30.0 p90 -141.66 117.73 10.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -140.54 34.57 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.622 ' O ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -83.63 6.12 21.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' PHE . 3.2 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.466 ' N ' ' HH ' ' A' ' 60' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.605 ' HB ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -56.05 -33.1 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 t -61.97 -40.21 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -124.87 67.61 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.89 -37.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 95.6 m -86.5 -26.94 24.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.489 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -75.36 -20.79 58.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.497 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -53.72 -62.83 1.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 49' ' ' PHE . 5.0 mtp180 -168.99 47.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 2.3 p 85.12 150.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -108.29 -175.3 2.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 108.283 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.45 -156.11 0.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.861 ' HA ' HD23 ' A' ' 57' ' ' LEU . 1.4 mp -135.48 24.46 3.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.8 -31.57 5.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -18.64 62.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.861 HD23 ' HA ' ' A' ' 54' ' ' LEU . 2.5 pp -71.11 -17.13 62.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -78.26 2.18 19.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.4 ' C ' ' SD ' ' A' ' 59' ' ' MET . 2.0 ppp? -104.54 -27.46 11.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.817 ' CE2' HD22 ' A' ' 10' ' ' LEU . 5.0 m-85 -73.98 -38.39 64.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.559 ' O ' ' C ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -45.94 97.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 1.109 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . . . -28.16 -69.57 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 1.109 ' HD3' ' HB3' ' A' ' 62' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 48' ' ' CYS . 56.0 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.708 ' N ' HD21 ' A' ' 10' ' ' LEU . . . 143.0 64.38 0.02 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 12' ' ' ASP . . . -159.69 -68.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 1.042 ' CB ' ' SG ' ' A' ' 47' ' ' CYS . 4.2 mm-40 -87.05 15.26 6.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.001 HD13 HG13 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -118.27 -38.99 3.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.825 HG12 ' OE1' ' A' ' 15' ' ' GLN . 2.1 t -98.08 -48.13 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 8' ' ' ALA . 1.3 t70 -65.63 -35.23 80.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.69 ' CB ' HD11 ' A' ' 57' ' ' LEU . . . -48.53 -53.16 19.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.021 ' HA ' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -69.2 -34.18 74.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.825 ' OE1' HG12 ' A' ' 11' ' ' VAL . 35.6 mt-30 -79.22 6.33 10.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -99.49 -66.46 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.505 ' CG2' ' OE1' ' A' ' 58' ' ' GLU . 2.8 t -77.99 -27.59 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 1.002 ' SG ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -94.08 1.34 56.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 108.339 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . -33.19 -40.23 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.91 33.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.778 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.445 ' HB3' ' CB ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -98.75 -32.21 11.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.2 65.38 0.25 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.531 ' HB3' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -61.29 164.71 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.603 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 2.4 p90 -177.92 107.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.858 ' CE1' HD22 ' A' ' 14' ' ' LEU . 1.7 m-85 -88.35 36.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.526 ' OD1' ' CD2' ' A' ' 24' ' ' TYR . 20.4 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.643 HG21 ' CZ ' ' A' ' 60' ' ' TYR . 1.1 mm -131.37 5.09 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.799 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.001 HG13 HD13 ' A' ' 10' ' ' LEU . 58.4 t -108.55 -17.64 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -91.17 18.45 6.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.32 -60.82 1.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 1.042 ' SG ' ' CB ' ' A' ' 9' ' ' GLU . 88.0 m -93.47 34.33 1.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 14.7 t -85.28 -39.64 17.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -108.39 -79.69 0.58 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.5 ttp-105 -158.51 25.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.543 ' OG ' ' CD2' ' A' ' 49' ' ' PHE . 0.7 OUTLIER -97.24 25.67 5.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.955 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.986 ' SG ' ' HB2' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -50.28 129.38 21.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.583 ' C ' HD12 ' A' ' 54' ' ' LEU . 4.7 t0 -171.92 173.13 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.79 ' HA ' HD22 ' A' ' 57' ' ' LEU . 5.0 mp -129.2 -114.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.543 ' C ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER 26.23 47.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 54' ' ' LEU . 3.6 tmm_? 178.69 -53.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.79 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -74.54 -2.92 27.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.759 ' N ' HD23 ' A' ' 57' ' ' LEU . 50.0 mm-40 -95.49 6.88 47.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.09 22.22 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.765 ' CE2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -139.39 22.18 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 1.021 ' SG ' ' HA ' ' A' ' 14' ' ' LEU . 2.7 p -175.72 102.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 108.327 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.806 ' CB ' ' O ' ' A' ' 61' ' ' CYS . . . 126.11 -52.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.796 ' HD3' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.689 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . 144.7 73.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . 163.36 -36.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 0.724 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.881 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -52.31 -40.8 62.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.626 ' CD1' ' CE2' ' A' ' 25' ' ' PHE . 1.4 tm? -42.66 -51.02 5.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.633 HG12 HE21 ' A' ' 15' ' ' GLN . 12.8 t -51.48 -49.38 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -52.69 -64.55 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.947 ' HB1' HD11 ' A' ' 57' ' ' LEU . . . -34.84 -34.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.902 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 1.6 mt -72.36 -60.23 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.633 HE21 HG12 ' A' ' 11' ' ' VAL . 32.4 mm-40 -40.49 -26.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.594 ' CD1' ' HG3' ' A' ' 58' ' ' GLU . 32.0 t80 -66.5 -75.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 111.016 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.602 HG23 ' HB2' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -66.75 -54.72 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.902 ' SG ' ' HB3' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -41.94 -52.69 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 108.282 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . 31.57 49.55 0.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 21' ' ' ARG . 1.8 m-20 158.93 49.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.589 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 28.58 50.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.927 ' O ' ' HB2' ' A' ' 62' ' ' ALA . . . -128.46 65.07 0.59 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.945 ' HA ' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -114.8 158.1 22.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -100.78 -73.29 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.626 ' CE2' ' CD1' ' A' ' 10' ' ' LEU . 0.9 OUTLIER 65.05 41.63 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.592 ' HB ' HD23 ' A' ' 10' ' ' LEU . 42.2 pt -65.22 -21.58 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.452 ' CG2' HG13 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -113.02 -2.54 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -119.24 21.29 12.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.635 ' OE1' HD22 ' A' ' 57' ' ' LEU . 14.8 pt-20 -96.93 -42.69 7.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.456 ' CB ' ' HG2' ' A' ' 9' ' ' GLU . 27.1 t -96.01 -24.87 16.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 108.322 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 t -43.7 -28.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 108.268 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.506 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 71.8 m-85 -97.4 -76.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.93 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 49' ' ' PHE . 1.7 mtt85 -167.87 29.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -127.13 97.41 4.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.881 ' SG ' ' HB2' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -109.42 16.34 22.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.282 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 1.7 t70 -139.9 -78.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.538 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER 89.61 -56.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER 86.73 -26.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HB3' HD12 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -100.11 -40.33 7.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.947 HD11 ' HB1' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -70.01 -8.01 45.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.724 ' OE1' ' HB1' ' A' ' 13' ' ' ALA . 3.3 mm-40 -68.25 -21.25 64.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.444 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 2.2 ppp? -64.63 -10.42 26.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.427 ' CD1' ' O ' ' A' ' 57' ' ' LEU . 10.0 m-85 -70.1 -5.6 28.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.945 ' SG ' ' HA ' ' A' ' 23' ' ' PHE . 45.7 t -105.97 -139.58 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.927 ' HB2' ' O ' ' A' ' 22' ' ' GLY . . . -71.15 113.75 21.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 111.024 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.744 ' SG ' ' O ' ' A' ' 48' ' ' CYS . 10.9 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.769 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -160.15 -102.49 0.18 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 95.1 97.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -151.09 -43.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.803 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 17.2 tp -65.81 -36.87 84.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.792 HG12 ' OE1' ' A' ' 15' ' ' GLN . 86.7 t -40.05 -28.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' A' ' 10' ' ' LEU . 27.7 t70 -88.65 40.39 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.709 ' CB ' HD12 ' A' ' 10' ' ' LEU . . . -126.63 -46.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.931 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -87.54 -21.3 25.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.792 ' OE1' HG12 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -74.95 -5.07 41.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.833 ' CZ ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -127.01 -29.44 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.985 HG12 ' SG ' ' A' ' 61' ' ' CYS . 3.9 t -79.71 -27.45 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.5 ' O ' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -132.99 21.89 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.327 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.5 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . -29.83 95.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.2 m-20 68.32 80.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.655 HH21 ' HB2' ' A' ' 21' ' ' ARG . 11.1 tpp85 -150.6 -45.67 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.89 ' O ' ' HB3' ' A' ' 62' ' ' ALA . . . 144.36 101.49 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.627 ' CD1' ' N ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -73.55 -170.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 111.021 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.636 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -162.3 -151.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 35.5 p90 37.82 93.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.572 ' CB ' ' O ' ' A' ' 25' ' ' PHE . 48.1 t30 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.025 HD13 ' CZ ' ' A' ' 60' ' ' TYR . 2.9 mp -61.14 -12.0 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.5 t -106.84 -59.04 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.44 -62.44 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.629 ' HA ' ' HB2' ' A' ' 49' ' ' PHE . 4.3 mm-40 -59.46 -22.32 61.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 1.216 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -59.67 -68.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.744 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 8.3 t -62.71 -11.57 18.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 108.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.629 ' HB2' ' HA ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -77.26 7.75 4.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 51' ' ' SER . 2.0 ttm180 81.91 29.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 2.4 t 157.63 97.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.036 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 1.216 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -64.35 -14.24 55.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 108.312 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.767 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 82.8 m-20 119.71 -158.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.757 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -169.64 32.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -156.72 22.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.603 ' HB3' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -120.91 -29.73 4.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 110.289 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.852 HD13 ' HB3' ' A' ' 14' ' ' LEU . 10.7 mt -71.43 -12.79 61.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.425 ' HA ' HG11 ' A' ' 17' ' ' VAL . 4.9 mt-10 -65.96 -9.15 27.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -116.72 -12.37 10.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.063 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 1.025 ' CZ ' HD13 ' A' ' 43' ' ' ILE . 2.0 m-30 -78.09 -27.12 48.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.985 ' SG ' HG12 ' A' ' 17' ' ' VAL . 20.5 m -34.32 98.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 108.304 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.89 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -77.54 144.62 70.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.813 ' O ' HG22 ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.41 155.75 41.12 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 121.898 1.732 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 63.21 23.35 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.813 HG22 ' O ' ' A' ' 2' ' ' PRO . 0.2 OUTLIER -162.89 158.2 22.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 6' ' ' CYS . 3.7 mm? 66.69 -101.73 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.353 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER 159.28 -40.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 108.309 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.04 54.69 0.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.71 -39.27 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.982 ' CB ' ' SG ' ' A' ' 52' ' ' CYS . 1.1 tt0 -96.2 14.15 25.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 9' ' ' GLU . 2.6 mt -112.06 -55.01 2.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.507 HG12 ' OE1' ' A' ' 15' ' ' GLN . 43.5 t -65.49 -44.32 94.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 16' ' ' PHE . 1.8 t70 -75.53 -20.87 58.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.808 ' HB2' ' O ' ' A' ' 9' ' ' GLU . . . -62.59 -53.31 56.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.727 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -68.41 -32.99 73.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.507 ' OE1' HG12 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -71.56 -8.92 57.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 7.8 t80 -130.87 1.71 4.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.789 HG21 HD11 ' A' ' 57' ' ' LEU . 6.1 t -106.08 -22.01 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 1.064 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 9.0 t -93.41 -23.43 18.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 108.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.58 -111.44 1.4 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -154.32 29.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 0.793 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.507 ' N ' ' CZ ' ' A' ' 23' ' ' PHE . 1.2 mtp180 163.4 77.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.609 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . 172.86 -44.57 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 1.057 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -31.25 98.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.777 . . . . 0.0 110.972 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 1.006 ' CD2' ' SG ' ' A' ' 61' ' ' CYS . 4.0 m-85 -88.4 88.58 7.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.435 ' C ' ' N ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -49.66 90.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.547 HD21 ' HA2' ' A' ' 30' ' ' GLY . 28.7 t-20 43.01 27.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.6 tttt -61.58 -50.08 84.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 27' ' ' LYS . 18.4 Cg_endo -75.05 93.48 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 28' ' ' PRO . 3.1 p 58.61 130.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.407 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.591 ' O ' ' CG ' ' A' ' 31' ' ' TYR . . . -118.01 -148.59 8.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.103 . . . . 0.0 111.023 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.591 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 58.0 m-85 -163.96 75.34 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.8 11.97 27.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.78 59.04 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.96 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 35' ' ' SER . 0.3 OUTLIER 61.77 136.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 34' ' ' SER . 1.5 m 85.31 162.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 68.0 91.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 55.43 165.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.703 ' N ' ' HD3' ' A' ' 39' ' ' PRO . . . -170.87 49.42 0.12 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.703 ' HD3' ' N ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 80.57 2.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.81 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 41' ' ' THR . 0.0 OUTLIER 168.7 98.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 40' ' ' GLN . 3.0 m 83.34 -13.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.36 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' GLU . . . 35.67 43.72 0.6 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.636 ' CD1' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -63.27 -14.57 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.5 t -120.87 -7.73 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.538 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 21.8 m-20 -129.61 30.28 4.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -95.05 -83.08 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.691 ' SG ' ' HA ' ' A' ' 2' ' ' PRO . 0.5 OUTLIER -75.99 -14.0 60.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.522 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -44.85 -29.51 0.81 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 108.278 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -109.51 -67.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 49' ' ' PHE . 2.3 mtm-85 -177.47 33.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.41 90.02 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.982 ' SG ' ' CB ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -92.47 16.49 11.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 108.285 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.489 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.2 p30 -61.29 178.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.988 HD23 HD11 ' A' ' 57' ' ' LEU . 5.5 mp -135.17 -107.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER 38.97 52.62 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.492 ' HG3' HG23 ' A' ' 41' ' ' THR . 1.7 tpm_? 179.72 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.283 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.988 HD11 HD23 ' A' ' 54' ' ' LEU . 2.6 pp -83.82 -10.02 58.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.508 ' CD ' HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -76.2 -4.9 44.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -113.11 1.62 15.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.07 -36.65 55.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 1.006 ' SG ' ' CD2' ' A' ' 24' ' ' TYR . 44.8 t -146.92 -162.41 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 1.064 ' HB2' ' HA ' ' A' ' 18' ' ' CYS . . . 60.78 145.59 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.03 -23.6 13.58 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.485 HD22 ' OXT' ' A' ' 70' ' ' ALA . 1.9 tp -176.67 153.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.725 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 12.5 tttt -47.96 -67.77 0.38 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 65' ' ' LYS . 18.2 Cg_endo -75.05 162.69 36.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.61 166.65 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp 67.82 139.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.8 m -57.85 -78.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.485 ' OXT' HD22 ' A' ' 64' ' ' LEU . . . . . . . . 0 C--O 1.251 1.142 0 CA-C-O 116.988 -1.482 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.35 152.19 38.88 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 121.963 1.775 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.478 ' C ' HG23 ' A' ' 4' ' ' THR . 36.1 tt0 -115.37 -5.17 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.478 HG23 ' C ' ' A' ' 3' ' ' GLU . 66.4 p -154.71 -156.98 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -173.14 120.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 1.6 p 159.38 -92.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 108.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.855 ' O ' HG12 ' A' ' 44' ' ' VAL . . . 126.84 4.9 5.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.36 -15.91 40.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 1.063 ' CB ' ' SG ' ' A' ' 47' ' ' CYS . 2.0 mt-10 -88.89 39.61 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.017 HD13 HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -124.43 -40.63 2.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.971 ' N ' HD23 ' A' ' 10' ' ' LEU . 1.9 t -68.53 -60.14 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -71.38 -2.5 16.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.843 ' HB1' HD11 ' A' ' 57' ' ' LEU . . . -79.3 -49.92 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.697 ' CD1' ' CD1' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -60.5 -33.2 72.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.492 ' OE1' ' N ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -92.42 34.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.746 ' HD2' HD21 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -136.01 -63.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.951 HG21 ' HB2' ' A' ' 57' ' ' LEU . 24.2 t -64.26 -31.74 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.53 ' SG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -130.01 16.97 5.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 108.263 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -30.95 126.37 0.17 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 15.6 t0 84.35 16.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 18' ' ' CYS . 3.7 ptm180 164.69 48.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.53 ' HA3' ' SG ' ' A' ' 18' ' ' CYS . . . -149.88 86.48 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.439 ' O ' ' HB2' ' A' ' 24' ' ' TYR . 13.1 m-85 -131.94 -130.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.753 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.601 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 9.7 m-30 56.91 -95.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.697 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 1.6 p90 36.28 30.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' TYR . 60.1 t30 -135.19 17.98 3.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.19 89.81 26.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.681 ' O ' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.03 109.03 2.85 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 28' ' ' PRO . 2.2 p -159.42 126.2 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.454 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.59 ' C ' ' CG ' ' A' ' 31' ' ' TYR . . . 116.67 32.31 1.62 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.59 ' CG ' ' C ' ' A' ' 30' ' ' GLY . 7.4 m-85 -163.84 75.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.11 -126.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -47.55 103.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.064 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 p -179.34 128.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.996 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -80.71 117.88 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.02 95.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 179.72 62.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -164.96 160.28 14.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.522 ' HD3' ' CE1' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.04 114.91 4.13 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 178.57 81.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 53.8 m 64.87 10.25 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.499 ' O ' ' CG ' ' A' ' 46' ' ' GLU . . . -90.63 6.45 82.12 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.874 ' HB ' HD12 ' A' ' 10' ' ' LEU . 1.2 mm -83.93 1.75 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.017 HG13 HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -105.47 -35.13 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.84 24.21 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.52 ' CG ' ' HA ' ' A' ' 43' ' ' ILE . 2.6 pp20? -137.99 -42.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 1.063 ' SG ' ' CB ' ' A' ' 9' ' ' GLU . 43.8 t -69.48 -35.74 75.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.721 ' SG ' ' N ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -91.18 19.52 5.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 108.3 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -127.49 44.74 2.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' HB2' ' N ' ' A' ' 3' ' ' GLU . 0.7 OUTLIER 69.32 15.25 8.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -125.92 22.26 7.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.969 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.908 ' SG ' ' HB2' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -65.82 -10.49 38.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -43.72 167.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.746 HD21 ' HD2' ' A' ' 16' ' ' PHE . 10.3 mp -99.6 31.86 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -41.41 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.607 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -73.75 -5.57 41.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.951 ' HB2' HG21 ' A' ' 17' ' ' VAL . 2.1 mm? -84.91 -26.74 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -13.21 12.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtt -78.16 -44.62 25.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.128 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.607 ' CE2' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -104.9 43.66 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.14 60.54 5.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.97 ' HB1' ' HD2' ' A' ' 63' ' ' PRO . . . 46.88 -172.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.97 ' HD2' ' HB1' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.01 -13.33 21.42 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -40.48 154.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -126.59 91.28 47.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 93.62 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.14 115.21 11.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -160.93 163.53 31.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.7 p -60.71 -43.71 97.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.018 -1.467 . . . . 0.0 109.285 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.705 ' O ' HG23 ' A' ' 4' ' ' THR . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.72 38.97 0.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 121.907 1.738 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.457 ' H ' ' C ' ' A' ' 1' ' ' GLY . 1.7 mt-10 -176.3 36.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 110.244 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 1' ' ' GLY . 81.7 p -91.51 -136.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.372 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.635 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -89.69 16.13 8.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.726 ' SG ' ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER 85.46 90.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.313 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' HA2' ' CB ' ' A' ' 47' ' ' CYS . . . 117.43 95.99 1.85 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -173.94 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.94 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 5.6 mm-40 -75.61 82.5 2.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.909 HD12 ' SG ' ' A' ' 47' ' ' CYS . 3.7 mt 163.5 -48.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.525 ' CG2' HD12 ' A' ' 43' ' ' ILE . 2.9 t -65.23 -42.92 95.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.24 -3.06 37.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.595 ' HB1' ' CB ' ' A' ' 57' ' ' LEU . . . -85.45 -63.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -55.98 -29.52 60.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.524 ' OE1' HG12 ' A' ' 11' ' ' VAL . 41.0 mt-30 -88.41 31.53 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -141.74 -58.16 0.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.1 t -78.71 -22.32 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.767 ' SG ' ' O ' ' A' ' 22' ' ' GLY . 1.6 m -133.58 19.36 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . -37.37 -35.71 0.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.21 26.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.688 HH11 ' NZ ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -109.15 -29.35 8.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.767 ' O ' ' SG ' ' A' ' 18' ' ' CYS . . . 165.36 94.89 0.1 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 30.0 p90 -141.66 117.73 10.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -140.54 34.57 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.622 ' O ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -83.63 6.12 21.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' PHE . 3.2 m-20 -39.58 98.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.609 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -139.62 55.15 6.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.6 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 18.5 Cg_endo -74.93 97.22 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 111.046 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.564 ' O ' ' O ' ' A' ' 28' ' ' PRO . 31.6 p 50.95 116.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.369 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.621 ' O ' ' CG ' ' A' ' 31' ' ' TYR . . . 136.76 46.73 0.08 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.621 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 50.3 m-85 -164.74 91.74 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 0.745 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' TYR . . . -35.9 95.65 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.1 t 38.27 90.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.417 ' HB3' ' N ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER 39.69 91.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.964 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 36' ' ' ARG . 92.8 p -154.56 99.26 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER 81.11 127.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER 75.8 0.83 3.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.663 ' N ' ' HD3' ' A' ' 39' ' ' PRO . . . 177.11 51.3 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.663 ' HD3' ' N ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.98 125.36 9.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.456 1.766 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.42 ' C ' ' OG1' ' A' ' 41' ' ' THR . 6.2 tt0 77.51 33.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.663 ' CG2' ' CZ ' ' A' ' 60' ' ' TYR . 2.6 m -154.95 -74.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 41' ' ' THR . . . 33.93 80.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.605 ' HB ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -56.05 -33.1 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 t -61.97 -40.21 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -124.87 67.61 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 41' ' ' THR . 0.7 OUTLIER -177.89 -37.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 95.6 m -86.5 -26.94 24.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.489 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -75.36 -20.79 58.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.497 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -53.72 -62.83 1.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 49' ' ' PHE . 5.0 mtp180 -168.99 47.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 2.3 p 85.12 150.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -108.29 -175.3 2.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 108.283 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.45 -156.11 0.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.861 ' HA ' HD23 ' A' ' 57' ' ' LEU . 1.4 mp -135.48 24.46 3.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.8 -31.57 5.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -18.64 62.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.861 HD23 ' HA ' ' A' ' 54' ' ' LEU . 2.5 pp -71.11 -17.13 62.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -78.26 2.18 19.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.473 ' CE ' ' OG1' ' A' ' 41' ' ' THR . 2.0 ppp? -104.54 -27.46 11.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.817 ' CE2' HD22 ' A' ' 10' ' ' LEU . 5.0 m-85 -73.98 -38.39 64.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.559 ' O ' ' C ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -45.94 97.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 1.109 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . . . -28.16 -69.57 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 1.109 ' HD3' ' HB3' ' A' ' 62' ' ' ALA . 18.5 Cg_endo -74.96 121.27 6.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.682 ' C ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -90.04 143.51 26.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.644 ' HE3' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -177.5 146.92 0.64 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.644 ' HD2' ' HE3' ' A' ' 65' ' ' LYS . 18.3 Cg_endo -75.02 84.25 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 60.89 151.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.688 ' NZ ' HH11 ' A' ' 21' ' ' ARG . 0.0 OUTLIER -107.69 116.08 31.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.28 41.15 32.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 117.048 -1.453 . . . . 0.0 109.311 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.985 ' CA ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.404 ' O ' ' CG ' ' A' ' 3' ' ' GLU . 18.2 Cg_endo -74.86 82.49 1.96 Allowed 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.111 1.874 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 4' ' ' THR . 5.6 mt-10 -164.82 38.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.553 ' O ' HD23 ' A' ' 5' ' ' LEU . 72.6 p 46.57 97.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.374 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.994 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 74.5 mt -154.64 -129.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.994 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 56.0 m 148.13 73.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 108.288 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.708 ' N ' HD21 ' A' ' 10' ' ' LEU . . . 143.0 64.38 0.02 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 12' ' ' ASP . . . -159.69 -68.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 1.042 ' CB ' ' SG ' ' A' ' 47' ' ' CYS . 4.2 mm-40 -87.05 15.26 6.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.001 HD13 HG13 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -118.27 -38.99 3.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.825 HG12 ' OE1' ' A' ' 15' ' ' GLN . 2.1 t -98.08 -48.13 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 8' ' ' ALA . 1.3 t70 -65.63 -35.23 80.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.69 ' CB ' HD11 ' A' ' 57' ' ' LEU . . . -48.53 -53.16 19.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.021 ' HA ' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -69.2 -34.18 74.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.825 ' OE1' HG12 ' A' ' 11' ' ' VAL . 35.6 mt-30 -79.22 6.33 10.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -99.49 -66.46 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.505 ' CG2' ' OE1' ' A' ' 58' ' ' GLU . 2.8 t -77.99 -27.59 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 1.002 ' SG ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -94.08 1.34 56.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 108.339 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . -33.19 -40.23 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.91 33.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.778 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.445 ' HB3' ' CB ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -98.75 -32.21 11.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.2 65.38 0.25 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.531 ' HB3' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -61.29 164.71 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.603 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 2.4 p90 -177.92 107.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.858 ' CE1' HD22 ' A' ' 14' ' ' LEU . 1.7 m-85 -88.35 36.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.526 ' OD1' ' CD2' ' A' ' 24' ' ' TYR . 20.4 p-10 -74.87 -20.42 59.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HG3' ' HD2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -54.55 141.76 53.75 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.73 ' O ' HG23 ' A' ' 29' ' ' THR . 18.3 Cg_endo -74.97 136.29 20.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.54 1.81 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 28' ' ' PRO . 1.6 p -160.69 128.81 4.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.595 ' C ' ' CG ' ' A' ' 31' ' ' TYR . . . 154.77 -22.62 0.62 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 168.03 88.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.993 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -97.49 47.41 1.58 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.0 m 73.17 92.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 109.968 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t 60.96 85.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 p 176.48 121.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -105.66 124.73 50.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.81 172.42 18.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.559 ' HB3' ' CA ' ' A' ' 42' ' ' GLY . . . -43.01 144.2 1.12 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.95 5.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.469 ' O ' ' CB ' ' A' ' 41' ' ' THR . 10.5 mt-30 53.53 60.8 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.9 HG21 HG23 ' A' ' 44' ' ' VAL . 0.9 OUTLIER 168.0 -42.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.403 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.559 ' CA ' ' HB3' ' A' ' 38' ' ' ALA . . . 39.59 30.72 0.2 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.827 ' H ' HG22 ' A' ' 41' ' ' THR . 1.1 mm -131.37 5.09 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.799 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.001 HG13 HD13 ' A' ' 10' ' ' LEU . 58.4 t -108.55 -17.64 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -91.17 18.45 6.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.32 -60.82 1.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 1.042 ' SG ' ' CB ' ' A' ' 9' ' ' GLU . 88.0 m -93.47 34.33 1.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 14.7 t -85.28 -39.64 17.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -108.39 -79.69 0.58 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.5 ttp-105 -158.51 25.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.543 ' OG ' ' CD2' ' A' ' 49' ' ' PHE . 0.7 OUTLIER -97.24 25.67 5.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.955 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.986 ' SG ' ' HB2' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -50.28 129.38 21.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.583 ' C ' HD12 ' A' ' 54' ' ' LEU . 4.7 t0 -171.92 173.13 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.79 ' HA ' HD22 ' A' ' 57' ' ' LEU . 5.0 mp -129.2 -114.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.543 ' C ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER 26.23 47.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 54' ' ' LEU . 3.6 tmm_? 178.69 -53.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.79 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -74.54 -2.92 27.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.759 ' N ' HD23 ' A' ' 57' ' ' LEU . 50.0 mm-40 -95.49 6.88 47.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.09 22.22 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.765 ' CE2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -139.39 22.18 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 1.021 ' SG ' ' HA ' ' A' ' 14' ' ' LEU . 2.7 p -175.72 102.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 108.327 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.806 ' CB ' ' O ' ' A' ' 61' ' ' CYS . . . 126.11 -52.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.796 ' HD3' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.03 11.35 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.588 ' HB2' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -36.85 149.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -176.05 90.5 0.27 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 168.82 23.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 62.61 82.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.12 138.7 35.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.46 96.11 8.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.076 -1.44 . . . . 0.0 109.293 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.502 ' O ' ' CG2' ' A' ' 4' ' ' THR . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.68 -176.14 2.65 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 121.833 1.688 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 68.54 28.73 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.628 ' OG1' ' SG ' ' A' ' 47' ' ' CYS . 12.6 p -82.19 -143.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.725 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 6.4 mt -107.83 -109.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.725 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 24.3 m -165.6 83.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.347 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.689 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . 144.7 73.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . 163.36 -36.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 0.724 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.881 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -52.31 -40.8 62.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.626 ' CD1' ' CE2' ' A' ' 25' ' ' PHE . 1.4 tm? -42.66 -51.02 5.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.633 HG12 HE21 ' A' ' 15' ' ' GLN . 12.8 t -51.48 -49.38 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -52.69 -64.55 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.947 ' HB1' HD11 ' A' ' 57' ' ' LEU . . . -34.84 -34.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.902 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 1.6 mt -72.36 -60.23 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.633 HE21 HG12 ' A' ' 11' ' ' VAL . 32.4 mm-40 -40.49 -26.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.594 ' CD1' ' HG3' ' A' ' 58' ' ' GLU . 32.0 t80 -66.5 -75.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 111.016 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.602 HG23 ' HB2' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -66.75 -54.72 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.902 ' SG ' ' HB3' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -41.94 -52.69 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 108.282 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . 31.57 49.55 0.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 21' ' ' ARG . 1.8 m-20 158.93 49.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.589 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 28.58 50.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.927 ' O ' ' HB2' ' A' ' 62' ' ' ALA . . . -128.46 65.07 0.59 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.945 ' HA ' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -114.8 158.1 22.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -100.78 -73.29 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.626 ' CE2' ' CD1' ' A' ' 10' ' ' LEU . 0.9 OUTLIER 65.05 41.63 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 27' ' ' LYS . 1.2 m-20 -120.95 12.14 11.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.606 ' HD2' ' HB2' ' A' ' 38' ' ' ALA . 9.6 mmtp 60.11 152.08 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 117.55 4.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.768 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.63 HG23 ' N ' ' A' ' 30' ' ' GLY . 1.7 t -133.75 -163.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.63 ' N ' HG23 ' A' ' 29' ' ' THR . . . 143.3 -14.54 2.3 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.614 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 167.52 87.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 111.015 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.47 95.03 1.82 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 167.59 135.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.42 92.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 m -167.0 139.81 3.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.1 160.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.409 ' CD ' ' OG1' ' A' ' 41' ' ' THR . 0.1 OUTLIER 55.39 172.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.346 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 1.075 ' HB3' ' HD3' ' A' ' 39' ' ' PRO . . . -115.96 -70.98 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 1.075 ' HD3' ' HB3' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.01 47.38 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 48.62 62.29 2.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.331 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 45' ' ' ASP . 25.2 m 70.6 14.81 7.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.367 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.16 -36.68 85.83 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.62 HG23 ' CD ' ' A' ' 39' ' ' PRO . 42.2 pt -65.22 -21.58 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.452 ' CG2' HG13 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -113.02 -2.54 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 41' ' ' THR . 90.1 m-20 -119.24 21.29 12.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.635 ' OE1' HD22 ' A' ' 57' ' ' LEU . 14.8 pt-20 -96.93 -42.69 7.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.628 ' SG ' ' OG1' ' A' ' 4' ' ' THR . 27.1 t -96.01 -24.87 16.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 108.322 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 t -43.7 -28.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 108.268 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.506 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 71.8 m-85 -97.4 -76.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.93 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 49' ' ' PHE . 1.7 mtt85 -167.87 29.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -127.13 97.41 4.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.881 ' SG ' ' HB2' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -109.42 16.34 22.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.282 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 1.7 t70 -139.9 -78.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.538 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER 89.61 -56.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER 86.73 -26.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HB3' HD12 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -100.11 -40.33 7.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.947 HD11 ' HB1' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -70.01 -8.01 45.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.724 ' OE1' ' HB1' ' A' ' 13' ' ' ALA . 3.3 mm-40 -68.25 -21.25 64.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.444 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 2.2 ppp? -64.63 -10.42 26.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.427 ' CD1' ' O ' ' A' ' 57' ' ' LEU . 10.0 m-85 -70.1 -5.6 28.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.945 ' SG ' ' HA ' ' A' ' 23' ' ' PHE . 45.7 t -105.97 -139.58 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.927 ' HB2' ' O ' ' A' ' 22' ' ' GLY . . . -71.15 113.75 21.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.73 15.74 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.16 8.9 18.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HB2' ' HD2' ' A' ' 66' ' ' PRO . 9.4 pttt -61.3 171.24 1.3 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 65' ' ' LYS . 18.1 Cg_endo -75.05 150.48 38.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.789 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -172.59 145.02 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -164.85 87.0 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.89 -82.81 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.011 -1.471 . . . . 0.0 109.296 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.613 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.613 ' HD3' ' H2 ' ' A' ' 1' ' ' GLY . 18.4 Cg_endo -74.66 176.07 10.27 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 121.843 1.695 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.498 ' O ' ' OG1' ' A' ' 4' ' ' THR . 19.6 mt-10 83.98 4.69 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 1.095 ' CG2' ' SG ' ' A' ' 52' ' ' CYS . 5.8 p 58.49 124.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.59 ' O ' HD23 ' A' ' 5' ' ' LEU . 2.8 tt -107.81 8.95 29.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.744 ' SG ' ' O ' ' A' ' 48' ' ' CYS . 10.9 p -162.85 29.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 108.327 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.769 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -160.15 -102.49 0.18 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 95.1 97.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -151.09 -43.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.803 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 17.2 tp -65.81 -36.87 84.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.792 HG12 ' OE1' ' A' ' 15' ' ' GLN . 86.7 t -40.05 -28.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' A' ' 10' ' ' LEU . 27.7 t70 -88.65 40.39 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.709 ' CB ' HD12 ' A' ' 10' ' ' LEU . . . -126.63 -46.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.931 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -87.54 -21.3 25.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.792 ' OE1' HG12 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -74.95 -5.07 41.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.833 ' CZ ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -127.01 -29.44 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.985 HG12 ' SG ' ' A' ' 61' ' ' CYS . 3.9 t -79.71 -27.45 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.5 ' O ' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -132.99 21.89 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.327 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.5 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . -29.83 95.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.2 m-20 68.32 80.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.655 HH21 ' HB2' ' A' ' 21' ' ' ARG . 11.1 tpp85 -150.6 -45.67 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.89 ' O ' ' HB3' ' A' ' 62' ' ' ALA . . . 144.36 101.49 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.627 ' CD1' ' N ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -73.55 -170.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 111.021 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.636 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -162.3 -151.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 35.5 p90 37.82 93.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.572 ' CB ' ' O ' ' A' ' 25' ' ' PHE . 48.1 t30 88.07 -28.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.831 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -47.44 -57.34 9.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.831 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 18.4 Cg_endo -74.99 146.42 32.67 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.567 HG22 ' C ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER 175.99 150.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.542 ' C ' ' CG ' ' A' ' 31' ' ' TYR . . . 165.53 106.84 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.542 ' CG ' ' C ' ' A' ' 30' ' ' GLY . 0.7 OUTLIER 70.31 85.08 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 111.013 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.85 101.93 2.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -87.77 163.29 16.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 109.992 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.65 130.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.58 134.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 mmt-85 -151.67 160.67 43.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.696 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -69.54 -152.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.896 ' HB1' ' HD2' ' A' ' 39' ' ' PRO . . . 84.24 -179.29 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.896 ' HD2' ' HB1' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.05 112.99 3.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.548 ' O ' ' CB ' ' A' ' 41' ' ' THR . 2.1 mt-30 -135.02 63.82 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.339 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.841 HG23 HH21 ' A' ' 56' ' ' ARG . 2.0 m 86.14 -22.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.43 -35.89 4.7 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.025 HD13 ' CZ ' ' A' ' 60' ' ' TYR . 2.9 mp -61.14 -12.0 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 11.5 t -106.84 -59.04 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.44 -62.44 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.629 ' HA ' ' HB2' ' A' ' 49' ' ' PHE . 4.3 mm-40 -59.46 -22.32 61.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -59.67 -68.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.744 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 8.3 t -62.71 -11.57 18.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 108.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.629 ' HB2' ' HA ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -77.26 7.75 4.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 51' ' ' SER . 2.0 ttm180 81.91 29.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 2.4 t 157.63 97.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.036 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -64.35 -14.24 55.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 108.312 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.767 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 82.8 m-20 119.71 -158.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.757 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -169.64 32.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -156.72 22.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.841 HH21 HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -120.91 -29.73 4.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 110.289 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.852 HD13 ' HB3' ' A' ' 14' ' ' LEU . 10.7 mt -71.43 -12.79 61.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.425 ' HA ' HG11 ' A' ' 17' ' ' VAL . 4.9 mt-10 -65.96 -9.15 27.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -116.72 -12.37 10.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.063 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 1.025 ' CZ ' HD13 ' A' ' 43' ' ' ILE . 2.0 m-30 -78.09 -27.12 48.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.985 ' SG ' HG12 ' A' ' 17' ' ' VAL . 20.5 m -34.32 98.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 108.304 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.89 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -77.54 144.62 70.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -75.05 129.24 12.12 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 tp -43.77 144.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.91 157.1 0.24 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 97.21 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.31 82.09 1.87 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.07 158.28 43.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.1 p 42.9 81.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.959 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.041 -1.457 . . . . 0.0 109.272 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.49 ' CB ' ' HA ' ' A' ' 48' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.04 54.69 0.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.71 -39.27 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.982 ' CB ' ' SG ' ' A' ' 52' ' ' CYS . 1.1 tt0 -96.2 14.15 25.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 9' ' ' GLU . 2.6 mt -112.06 -55.01 2.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.96 HG12 HE22 ' A' ' 15' ' ' GLN . 43.5 t -65.49 -44.32 94.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 16' ' ' PHE . 1.8 t70 -75.53 -20.87 58.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.808 ' HB2' ' O ' ' A' ' 9' ' ' GLU . . . -62.59 -53.31 56.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.727 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -68.41 -32.99 73.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.96 HE22 HG12 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.56 -8.92 57.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 7.8 t80 -130.87 1.71 4.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.789 HG21 HD11 ' A' ' 57' ' ' LEU . 6.1 t -106.08 -22.01 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 1.064 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 9.0 t -93.41 -23.43 18.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 108.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.58 -111.44 1.4 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -154.32 29.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 0.793 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.507 ' N ' ' CZ ' ' A' ' 23' ' ' PHE . 1.2 mtp180 163.4 77.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.609 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . 172.86 -44.57 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 1.057 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -31.25 98.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.777 . . . . 0.0 110.972 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 1.006 ' CD2' ' SG ' ' A' ' 61' ' ' CYS . 4.0 m-85 -88.4 88.58 7.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.66 90.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 24' ' ' TYR . 28.7 t-20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.636 ' CD1' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -63.27 -14.57 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.5 t -120.87 -7.73 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.538 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 21.8 m-20 -129.61 30.28 4.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -95.05 -83.08 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.562 ' HB2' HD21 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -75.99 -14.0 60.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.522 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -44.85 -29.51 0.81 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 108.278 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -109.51 -67.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 49' ' ' PHE . 2.3 mtm-85 -177.47 33.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.41 90.02 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.982 ' SG ' ' CB ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -92.47 16.49 11.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 108.285 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.489 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.2 p30 -61.29 178.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.988 HD23 HD11 ' A' ' 57' ' ' LEU . 5.5 mp -135.17 -107.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER 38.97 52.62 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? 179.72 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.283 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.988 HD11 HD23 ' A' ' 54' ' ' LEU . 2.6 pp -83.82 -10.02 58.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.508 ' CD ' HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -76.2 -4.9 44.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -113.11 1.62 15.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.07 -36.65 55.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 1.006 ' SG ' ' CD2' ' A' ' 24' ' ' TYR . 44.8 t -146.92 -162.41 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 1.064 ' HB2' ' HA ' ' A' ' 18' ' ' CYS . . . 60.78 145.59 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 48' ' ' CYS . 1.6 p . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.855 ' O ' HG12 ' A' ' 44' ' ' VAL . . . 126.84 4.9 5.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.36 -15.91 40.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 1.063 ' CB ' ' SG ' ' A' ' 47' ' ' CYS . 2.0 mt-10 -88.89 39.61 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.017 HD13 HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -124.43 -40.63 2.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.971 ' N ' HD23 ' A' ' 10' ' ' LEU . 1.9 t -68.53 -60.14 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -71.38 -2.5 16.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.843 ' HB1' HD11 ' A' ' 57' ' ' LEU . . . -79.3 -49.92 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.697 ' CD1' ' CD1' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -60.5 -33.2 72.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.492 ' OE1' ' N ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -92.42 34.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.746 ' HD2' HD21 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -136.01 -63.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.951 HG21 ' HB2' ' A' ' 57' ' ' LEU . 24.2 t -64.26 -31.74 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.53 ' SG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -130.01 16.97 5.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 108.263 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -30.95 126.37 0.17 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 15.6 t0 84.35 16.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 18' ' ' CYS . 3.7 ptm180 164.69 48.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.53 ' HA3' ' SG ' ' A' ' 18' ' ' CYS . . . -149.88 86.48 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.439 ' O ' ' HB2' ' A' ' 24' ' ' TYR . 13.1 m-85 -131.94 -130.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.753 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.601 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 9.7 m-30 56.91 -95.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.697 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 1.6 p90 36.28 30.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' TYR . 1.6 t-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.499 ' O ' ' CG ' ' A' ' 46' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.874 ' HB ' HD12 ' A' ' 10' ' ' LEU . 1.2 mm -83.93 1.75 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.017 HG13 HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -105.47 -35.13 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.84 24.21 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.52 ' CG ' ' HA ' ' A' ' 43' ' ' ILE . 2.6 pp20? -137.99 -42.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 1.063 ' SG ' ' CB ' ' A' ' 9' ' ' GLU . 43.8 t -69.48 -35.74 75.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.721 ' SG ' ' N ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -91.18 19.52 5.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 108.3 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -127.49 44.74 2.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 69.32 15.25 8.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -125.92 22.26 7.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.969 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.908 ' SG ' ' HB2' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -65.82 -10.49 38.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -43.72 167.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.746 HD21 ' HD2' ' A' ' 16' ' ' PHE . 10.3 mp -99.6 31.86 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -41.41 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.607 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -73.75 -5.57 41.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.951 ' HB2' HG21 ' A' ' 17' ' ' VAL . 2.1 mm? -84.91 -26.74 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -13.21 12.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtt -78.16 -44.62 25.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.128 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.607 ' CE2' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -104.9 43.66 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.14 60.54 5.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.97 ' HB1' ' HD2' ' A' ' 63' ' ' PRO . . . 46.88 -172.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.97 ' HD2' ' HB1' ' A' ' 62' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.726 ' SG ' ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.439 ' HA2' ' CB ' ' A' ' 47' ' ' CYS . . . 117.43 95.99 1.85 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -173.94 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.94 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 5.6 mm-40 -75.61 82.5 2.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.909 HD12 ' SG ' ' A' ' 47' ' ' CYS . 3.7 mt 163.5 -48.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.674 HG12 ' NE2' ' A' ' 15' ' ' GLN . 2.9 t -65.23 -42.92 95.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.24 -3.06 37.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.595 ' HB1' ' CB ' ' A' ' 57' ' ' LEU . . . -85.45 -63.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -55.98 -29.52 60.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.674 ' NE2' HG12 ' A' ' 11' ' ' VAL . 62.8 mt-30 -88.41 31.53 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -141.74 -58.16 0.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.1 t -78.71 -22.32 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.767 ' SG ' ' O ' ' A' ' 22' ' ' GLY . 1.6 m -133.58 19.36 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . -37.37 -35.71 0.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.21 26.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -29.35 8.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.767 ' O ' ' SG ' ' A' ' 18' ' ' CYS . . . 165.36 94.89 0.1 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 30.0 p90 -141.66 117.73 10.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -140.54 34.57 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.622 ' O ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -83.63 6.12 21.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' PHE . 3.2 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.466 ' N ' ' HH ' ' A' ' 60' ' ' TYR . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.605 ' HB ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -56.05 -33.1 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 t -61.97 -40.21 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -124.87 67.61 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.89 -37.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 95.6 m -86.5 -26.94 24.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.489 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -75.36 -20.79 58.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.497 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -53.72 -62.83 1.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 49' ' ' PHE . 5.0 mtp180 -168.99 47.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 2.3 p 85.12 150.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -108.29 -175.3 2.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 108.283 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.45 -156.11 0.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.861 ' HA ' HD23 ' A' ' 57' ' ' LEU . 1.4 mp -135.48 24.46 3.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.8 -31.57 5.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -18.64 62.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.861 HD23 ' HA ' ' A' ' 54' ' ' LEU . 2.5 pp -71.11 -17.13 62.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -78.26 2.18 19.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.4 ' C ' ' SD ' ' A' ' 59' ' ' MET . 2.0 ppp? -104.54 -27.46 11.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.817 ' CE2' HD22 ' A' ' 10' ' ' LEU . 5.0 m-85 -73.98 -38.39 64.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.559 ' O ' ' C ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -45.94 97.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 1.109 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . . . -28.16 -69.57 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 1.109 ' HD3' ' HB3' ' A' ' 62' ' ' ALA . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.529 ' SG ' ' O ' ' A' ' 48' ' ' CYS . 56.0 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.708 ' N ' HD21 ' A' ' 10' ' ' LEU . . . 143.0 64.38 0.02 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 12' ' ' ASP . . . -159.69 -68.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 1.042 ' CB ' ' SG ' ' A' ' 47' ' ' CYS . 4.2 mm-40 -87.05 15.26 6.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.001 HD13 HG13 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -118.27 -38.99 3.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.975 HG12 ' NE2' ' A' ' 15' ' ' GLN . 2.1 t -98.08 -48.13 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 8' ' ' ALA . 1.3 t70 -65.63 -35.23 80.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.69 ' CB ' HD11 ' A' ' 57' ' ' LEU . . . -48.53 -53.16 19.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.021 ' HA ' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -69.2 -34.18 74.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.975 ' NE2' HG12 ' A' ' 11' ' ' VAL . 70.4 mt-30 -79.22 6.33 10.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -99.49 -66.46 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.505 ' CG2' ' OE1' ' A' ' 58' ' ' GLU . 2.8 t -77.99 -27.59 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 1.002 ' SG ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -94.08 1.34 56.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 108.339 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . -33.19 -40.23 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.91 33.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.778 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.445 ' HB3' ' CB ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -98.75 -32.21 11.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.2 65.38 0.25 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.531 ' HB3' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -61.29 164.71 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.603 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 2.4 p90 -177.92 107.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.858 ' CE1' HD22 ' A' ' 14' ' ' LEU . 1.7 m-85 -88.35 36.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.526 ' OD1' ' CD2' ' A' ' 24' ' ' TYR . 20.4 p-10 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.643 HG21 ' CZ ' ' A' ' 60' ' ' TYR . 1.1 mm -131.37 5.09 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.799 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.001 HG13 HD13 ' A' ' 10' ' ' LEU . 58.4 t -108.55 -17.64 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -91.17 18.45 6.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.32 -60.82 1.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 1.042 ' SG ' ' CB ' ' A' ' 9' ' ' GLU . 88.0 m -93.47 34.33 1.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 14.7 t -85.28 -39.64 17.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -108.39 -79.69 0.58 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.5 ttp-105 -158.51 25.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.543 ' OG ' ' CD2' ' A' ' 49' ' ' PHE . 0.7 OUTLIER -97.24 25.67 5.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.955 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.986 ' SG ' ' HB2' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -50.28 129.38 21.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.583 ' C ' HD12 ' A' ' 54' ' ' LEU . 4.7 t0 -171.92 173.13 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.79 ' HA ' HD22 ' A' ' 57' ' ' LEU . 5.0 mp -129.2 -114.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.543 ' C ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER 26.23 47.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 54' ' ' LEU . 3.6 tmm_? 178.69 -53.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.79 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -74.54 -2.92 27.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.759 ' N ' HD23 ' A' ' 57' ' ' LEU . 50.0 mm-40 -95.49 6.88 47.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.09 22.22 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.765 ' CE2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -139.39 22.18 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 1.021 ' SG ' ' HA ' ' A' ' 14' ' ' LEU . 2.7 p -175.72 102.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 108.327 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.806 ' CB ' ' O ' ' A' ' 61' ' ' CYS . . . 126.11 -52.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.796 ' HD3' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 24.3 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.689 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . 144.7 73.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . 163.36 -36.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 0.724 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.881 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -52.31 -40.8 62.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.626 ' CD1' ' CE2' ' A' ' 25' ' ' PHE . 1.4 tm? -42.66 -51.02 5.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.633 HG12 HE21 ' A' ' 15' ' ' GLN . 12.8 t -51.48 -49.38 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -52.69 -64.55 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.947 ' HB1' HD11 ' A' ' 57' ' ' LEU . . . -34.84 -34.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.902 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 1.6 mt -72.36 -60.23 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.633 HE21 HG12 ' A' ' 11' ' ' VAL . 32.4 mm-40 -40.49 -26.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.594 ' CD1' ' HG3' ' A' ' 58' ' ' GLU . 32.0 t80 -66.5 -75.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 111.016 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.602 HG23 ' HB2' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -66.75 -54.72 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.902 ' SG ' ' HB3' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -41.94 -52.69 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 108.282 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . 31.57 49.55 0.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 21' ' ' ARG . 1.8 m-20 158.93 49.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.589 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 28.58 50.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.927 ' O ' ' HB2' ' A' ' 62' ' ' ALA . . . -128.46 65.07 0.59 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.945 ' HA ' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -114.8 158.1 22.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -100.78 -73.29 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.626 ' CE2' ' CD1' ' A' ' 10' ' ' LEU . 0.9 OUTLIER 65.05 41.63 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.592 ' HB ' HD23 ' A' ' 10' ' ' LEU . 42.2 pt -65.22 -21.58 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.452 ' CG2' HG13 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -113.02 -2.54 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -119.24 21.29 12.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.635 ' OE1' HD22 ' A' ' 57' ' ' LEU . 14.8 pt-20 -96.93 -42.69 7.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.456 ' CB ' ' HG2' ' A' ' 9' ' ' GLU . 27.1 t -96.01 -24.87 16.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 108.322 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 t -43.7 -28.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 108.268 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.506 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 71.8 m-85 -97.4 -76.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.93 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 49' ' ' PHE . 1.7 mtt85 -167.87 29.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -127.13 97.41 4.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.881 ' SG ' ' HB2' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -109.42 16.34 22.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.282 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 1.7 t70 -139.9 -78.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.538 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER 89.61 -56.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER 86.73 -26.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HB3' HD12 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -100.11 -40.33 7.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.947 HD11 ' HB1' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -70.01 -8.01 45.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.724 ' OE1' ' HB1' ' A' ' 13' ' ' ALA . 3.3 mm-40 -68.25 -21.25 64.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.444 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 2.2 ppp? -64.63 -10.42 26.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.427 ' CD1' ' O ' ' A' ' 57' ' ' LEU . 10.0 m-85 -70.1 -5.6 28.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.945 ' SG ' ' HA ' ' A' ' 23' ' ' PHE . 45.7 t -105.97 -139.58 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.927 ' HB2' ' O ' ' A' ' 22' ' ' GLY . . . -71.15 113.75 21.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 111.024 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.744 ' SG ' ' O ' ' A' ' 48' ' ' CYS . 10.9 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.769 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -160.15 -102.49 0.18 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 95.1 97.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -151.09 -43.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.803 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 17.2 tp -65.81 -36.87 84.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 1.037 HG12 HE22 ' A' ' 15' ' ' GLN . 86.7 t -40.05 -28.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' A' ' 10' ' ' LEU . 27.7 t70 -88.65 40.39 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.709 ' CB ' HD12 ' A' ' 10' ' ' LEU . . . -126.63 -46.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.931 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -87.54 -21.3 25.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 1.037 HE22 HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -74.95 -5.07 41.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.833 ' CZ ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -127.01 -29.44 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.985 HG12 ' SG ' ' A' ' 61' ' ' CYS . 3.9 t -79.71 -27.45 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.5 ' O ' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -132.99 21.89 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.327 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.5 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . -29.83 95.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.2 m-20 68.32 80.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.655 HH21 ' HB2' ' A' ' 21' ' ' ARG . 11.1 tpp85 -150.6 -45.67 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.89 ' O ' ' HB3' ' A' ' 62' ' ' ALA . . . 144.36 101.49 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.627 ' CD1' ' N ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -73.55 -170.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 111.021 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.636 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -162.3 -151.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 35.5 p90 37.82 93.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.572 ' CB ' ' O ' ' A' ' 25' ' ' PHE . 1.6 t-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.025 HD13 ' CZ ' ' A' ' 60' ' ' TYR . 2.9 mp -61.14 -12.0 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.5 t -106.84 -59.04 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.44 -62.44 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.629 ' HA ' ' HB2' ' A' ' 49' ' ' PHE . 4.3 mm-40 -59.46 -22.32 61.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 1.216 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -59.67 -68.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.744 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 8.3 t -62.71 -11.57 18.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 108.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.629 ' HB2' ' HA ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -77.26 7.75 4.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 51' ' ' SER . 2.0 ttm180 81.91 29.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 2.4 t 157.63 97.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.036 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 1.216 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -64.35 -14.24 55.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 108.312 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.767 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 82.8 m-20 119.71 -158.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.757 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -169.64 32.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -156.72 22.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.603 ' HB3' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -120.91 -29.73 4.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 110.289 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.852 HD13 ' HB3' ' A' ' 14' ' ' LEU . 10.7 mt -71.43 -12.79 61.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.425 ' HA ' HG11 ' A' ' 17' ' ' VAL . 4.9 mt-10 -65.96 -9.15 27.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -116.72 -12.37 10.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.063 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 1.025 ' CZ ' HD13 ' A' ' 43' ' ' ILE . 2.0 m-30 -78.09 -27.12 48.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.985 ' SG ' HG12 ' A' ' 17' ' ' VAL . 20.5 m -34.32 98.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 108.304 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.89 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -77.54 144.62 70.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.813 ' O ' HG22 ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.41 155.75 41.12 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 121.898 1.732 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 63.21 23.35 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.813 HG22 ' O ' ' A' ' 2' ' ' PRO . 0.2 OUTLIER -162.89 158.2 22.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 6' ' ' CYS . 3.7 mm? 66.69 -101.73 0.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 109.353 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER 159.28 -40.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 108.309 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.04 54.69 0.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.71 -39.27 6.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.982 ' CB ' ' SG ' ' A' ' 52' ' ' CYS . 1.1 tt0 -96.2 14.15 25.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.686 HD23 ' C ' ' A' ' 9' ' ' GLU . 2.6 mt -112.06 -55.01 2.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.96 HG12 HE22 ' A' ' 15' ' ' GLN . 43.5 t -65.49 -44.32 94.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.412 ' O ' ' HB3' ' A' ' 16' ' ' PHE . 1.8 t70 -75.53 -20.87 58.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.808 ' HB2' ' O ' ' A' ' 9' ' ' GLU . . . -62.59 -53.31 56.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.727 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -68.41 -32.99 73.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.96 HE22 HG12 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.56 -8.92 57.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CG ' ' O ' ' A' ' 16' ' ' PHE . 7.8 t80 -130.87 1.71 4.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.789 HG21 HD11 ' A' ' 57' ' ' LEU . 6.1 t -106.08 -22.01 5.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 1.064 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 9.0 t -93.41 -23.43 18.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 108.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.58 -111.44 1.4 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.461 1.101 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' CG ' ' A' ' 21' ' ' ARG . 0.1 OUTLIER -154.32 29.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 0.793 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.507 ' N ' ' CZ ' ' A' ' 23' ' ' PHE . 1.2 mtp180 163.4 77.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.609 ' O ' ' CD1' ' A' ' 24' ' ' TYR . . . 172.86 -44.57 0.17 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 1.057 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -31.25 98.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.777 . . . . 0.0 110.972 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 1.006 ' CD2' ' SG ' ' A' ' 61' ' ' CYS . 4.0 m-85 -88.4 88.58 7.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.435 ' C ' ' N ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -49.66 90.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.152 . . . . 0.0 110.999 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.547 HD21 ' HA2' ' A' ' 30' ' ' GLY . 28.7 t-20 43.01 27.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.55 ' N ' ' CD ' ' A' ' 28' ' ' PRO . 2.6 tttt -61.58 -50.08 84.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 27' ' ' LYS . 18.4 Cg_endo -75.05 93.48 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.493 1.786 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 28' ' ' PRO . 3.1 p 58.61 130.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.407 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.591 ' O ' ' CG ' ' A' ' 31' ' ' TYR . . . -118.01 -148.59 8.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.103 . . . . 0.0 111.023 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.591 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 58.0 m-85 -163.96 75.34 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.8 11.97 27.23 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.78 59.04 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.96 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 35' ' ' SER . 0.3 OUTLIER 61.77 136.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.02 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 34' ' ' SER . 1.5 m 85.31 162.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 68.0 91.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.9 ttm180 55.43 165.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.703 ' N ' ' HD3' ' A' ' 39' ' ' PRO . . . -170.87 49.42 0.12 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.703 ' HD3' ' N ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -75.0 80.57 2.4 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.81 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 41' ' ' THR . 1.0 OUTLIER 168.7 98.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 40' ' ' GLN . 3.0 m 83.34 -13.14 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.161 . . . . 0.0 110.36 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.508 ' O ' ' CG ' ' A' ' 46' ' ' GLU . . . 35.67 43.72 0.6 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.477 1.11 . . . . 0.0 111.041 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.636 ' CD1' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -63.27 -14.57 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 19.5 t -120.87 -7.73 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.538 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 21.8 m-20 -129.61 30.28 4.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -95.05 -83.08 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.691 ' SG ' ' HA ' ' A' ' 2' ' ' PRO . 0.5 OUTLIER -75.99 -14.0 60.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 108.308 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.522 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -44.85 -29.51 0.81 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 108.278 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.538 ' CE2' ' O ' ' A' ' 45' ' ' ASP . 0.3 OUTLIER -109.51 -67.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 49' ' ' PHE . 2.3 mtm-85 -177.47 33.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.41 90.02 2.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.982 ' SG ' ' CB ' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -92.47 16.49 11.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 108.285 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.489 ' C ' HD12 ' A' ' 54' ' ' LEU . 2.2 p30 -61.29 178.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.988 HD23 HD11 ' A' ' 57' ' ' LEU . 5.5 mp -135.17 -107.84 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER 38.97 52.62 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.492 ' HG3' HG23 ' A' ' 41' ' ' THR . 1.7 tpm_? 179.72 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.283 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.988 HD11 HD23 ' A' ' 54' ' ' LEU . 2.6 pp -83.82 -10.02 58.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.508 ' CD ' HG13 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -76.2 -4.9 44.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.322 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -113.11 1.62 15.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.063 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.07 -36.65 55.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 1.006 ' SG ' ' CD2' ' A' ' 24' ' ' TYR . 44.8 t -146.92 -162.41 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 108.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 1.064 ' HB2' ' HA ' ' A' ' 18' ' ' CYS . . . 60.78 145.59 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.03 -23.6 13.58 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.485 HD22 ' OXT' ' A' ' 70' ' ' ALA . 1.9 tp -176.67 153.4 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.725 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 12.5 tttt -47.96 -67.77 0.38 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.725 ' HD3' ' HB3' ' A' ' 65' ' ' LYS . 18.2 Cg_endo -75.05 162.69 36.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.488 1.783 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -53.61 166.65 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp 67.82 139.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.8 m -57.85 -78.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.035 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.485 ' OXT' HD22 ' A' ' 64' ' ' LEU . . . . . . . . 0 C--O 1.251 1.142 0 CA-C-O 116.988 -1.482 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.35 152.19 38.88 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 121.963 1.775 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.478 ' C ' HG23 ' A' ' 4' ' ' THR . 36.1 tt0 -115.37 -5.17 12.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.478 HG23 ' C ' ' A' ' 3' ' ' GLU . 66.4 p -154.71 -156.98 0.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -173.14 120.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 5' ' ' LEU . 1.6 p 159.38 -92.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 108.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.855 ' O ' HG12 ' A' ' 44' ' ' VAL . . . 126.84 4.9 5.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.36 -15.91 40.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 0.777 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 1.063 ' CB ' ' SG ' ' A' ' 47' ' ' CYS . 2.0 mt-10 -88.89 39.61 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.017 HD13 HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -124.43 -40.63 2.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.971 ' N ' HD23 ' A' ' 10' ' ' LEU . 1.9 t -68.53 -60.14 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -71.38 -2.5 16.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.843 ' HB1' HD11 ' A' ' 57' ' ' LEU . . . -79.3 -49.92 11.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.697 ' CD1' ' CD1' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -60.5 -33.2 72.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.492 ' OE1' ' N ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -92.42 34.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.746 ' HD2' HD21 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -136.01 -63.25 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 111.031 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.951 HG21 ' HB2' ' A' ' 57' ' ' LEU . 24.2 t -64.26 -31.74 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.53 ' SG ' ' HA3' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -130.01 16.97 5.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 108.263 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.536 ' O ' ' CB ' ' A' ' 20' ' ' ASP . . . -30.95 126.37 0.17 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 19' ' ' GLY . 15.6 t0 84.35 16.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 18' ' ' CYS . 3.7 ptm180 164.69 48.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.53 ' HA3' ' SG ' ' A' ' 18' ' ' CYS . . . -149.88 86.48 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.439 ' O ' ' HB2' ' A' ' 24' ' ' TYR . 13.1 m-85 -131.94 -130.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.753 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.601 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 9.7 m-30 56.91 -95.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.697 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 1.6 p90 36.28 30.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' TYR . 1.6 t-20 -135.19 17.98 3.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.19 89.81 26.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.681 ' O ' HG23 ' A' ' 29' ' ' THR . 18.2 Cg_endo -75.03 109.03 2.85 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.495 1.787 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 28' ' ' PRO . 2.2 p -159.42 126.2 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.454 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.59 ' C ' ' CG ' ' A' ' 31' ' ' TYR . . . 116.67 32.31 1.62 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.59 ' CG ' ' C ' ' A' ' 30' ' ' GLY . 7.4 m-85 -163.84 75.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.11 -126.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -47.55 103.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.064 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 p -179.34 128.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.996 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.7 m -80.71 117.88 21.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.02 95.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 179.72 62.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -164.96 160.28 14.91 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.522 ' HD3' ' CE1' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -75.04 114.91 4.13 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 178.57 81.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 53.8 m 64.87 10.25 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.499 ' O ' ' CG ' ' A' ' 46' ' ' GLU . . . -90.63 6.45 82.12 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.874 ' HB ' HD12 ' A' ' 10' ' ' LEU . 1.2 mm -83.93 1.75 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.017 HG13 HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -105.47 -35.13 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -91.84 24.21 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.52 ' CG ' ' HA ' ' A' ' 43' ' ' ILE . 2.6 pp20? -137.99 -42.18 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 1.063 ' SG ' ' CB ' ' A' ' 9' ' ' GLU . 43.8 t -69.48 -35.74 75.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.721 ' SG ' ' N ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -91.18 19.52 5.8 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 0.0 108.3 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -127.49 44.74 2.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' HB2' ' N ' ' A' ' 3' ' ' GLU . 0.7 OUTLIER 69.32 15.25 8.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -125.92 22.26 7.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.969 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.908 ' SG ' ' HB2' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -65.82 -10.49 38.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.337 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 52' ' ' CYS . 0.6 OUTLIER -43.72 167.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.746 HD21 ' HD2' ' A' ' 16' ' ' PHE . 10.3 mp -99.6 31.86 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -41.41 7.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.607 ' O ' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -73.75 -5.57 41.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.252 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.951 ' HB2' HG21 ' A' ' 17' ' ' VAL . 2.1 mm? -84.91 -26.74 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -13.21 12.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 mtt -78.16 -44.62 25.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.128 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.607 ' CE2' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -104.9 43.66 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.14 60.54 5.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.97 ' HB1' ' HD2' ' A' ' 63' ' ' PRO . . . 46.88 -172.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.97 ' HD2' ' HB1' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.01 -13.33 21.42 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.503 1.791 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -40.48 154.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -126.59 91.28 47.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 93.62 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.14 115.21 11.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -160.93 163.53 31.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.7 p -60.71 -43.71 97.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.018 -1.467 . . . . 0.0 109.285 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.705 ' O ' HG23 ' A' ' 4' ' ' THR . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.72 38.97 0.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 121.907 1.738 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.457 ' H ' ' C ' ' A' ' 1' ' ' GLY . 1.7 mt-10 -176.3 36.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 0.0 110.244 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 1' ' ' GLY . 81.7 p -91.51 -136.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.372 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.635 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -89.69 16.13 8.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.726 ' SG ' ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER 85.46 90.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.313 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' HA2' ' CB ' ' A' ' 47' ' ' CYS . . . 117.43 95.99 1.85 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -173.94 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.94 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 5.6 mm-40 -75.61 82.5 2.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.909 HD12 ' SG ' ' A' ' 47' ' ' CYS . 3.7 mt 163.5 -48.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.674 HG12 ' NE2' ' A' ' 15' ' ' GLN . 2.9 t -65.23 -42.92 95.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.24 -3.06 37.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.595 ' HB1' ' CB ' ' A' ' 57' ' ' LEU . . . -85.45 -63.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -55.98 -29.52 60.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.674 ' NE2' HG12 ' A' ' 11' ' ' VAL . 62.8 mt-30 -88.41 31.53 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -141.74 -58.16 0.47 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.1 t -78.71 -22.32 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.767 ' SG ' ' O ' ' A' ' 22' ' ' GLY . 1.6 m -133.58 19.36 3.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . -37.37 -35.71 0.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -159.21 26.95 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.688 HH11 ' NZ ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -109.15 -29.35 8.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.767 ' O ' ' SG ' ' A' ' 18' ' ' CYS . . . 165.36 94.89 0.1 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.419 ' O ' ' CG ' ' A' ' 23' ' ' PHE . 30.0 p90 -141.66 117.73 10.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -140.54 34.57 1.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.622 ' O ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -83.63 6.12 21.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' PHE . 3.2 m-20 -39.58 98.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.609 ' HA ' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -139.62 55.15 6.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.6 ' HD3' ' N ' ' A' ' 27' ' ' LYS . 18.5 Cg_endo -74.93 97.22 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 111.046 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.564 ' O ' ' O ' ' A' ' 28' ' ' PRO . 31.6 p 50.95 116.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.369 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.621 ' O ' ' CG ' ' A' ' 31' ' ' TYR . . . 136.76 46.73 0.08 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.621 ' CG ' ' O ' ' A' ' 30' ' ' GLY . 50.3 m-85 -164.74 91.74 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 0.745 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' TYR . . . -35.9 95.65 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' TYR . 1.1 t 38.27 90.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.417 ' HB3' ' N ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER 39.69 91.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.964 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 36' ' ' ARG . 92.8 p -154.56 99.26 2.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.465 ' CB ' ' O ' ' A' ' 35' ' ' SER . 0.0 OUTLIER 81.11 127.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER 75.8 0.83 3.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.663 ' N ' ' HD3' ' A' ' 39' ' ' PRO . . . 177.11 51.3 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.663 ' HD3' ' N ' ' A' ' 38' ' ' ALA . 18.3 Cg_endo -74.98 125.36 9.28 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.456 1.766 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.42 ' C ' ' OG1' ' A' ' 41' ' ' THR . 6.2 tt0 77.51 33.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.663 ' CG2' ' CZ ' ' A' ' 60' ' ' TYR . 2.6 m -154.95 -74.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 41' ' ' THR . . . 33.93 80.57 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.605 ' HB ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -56.05 -33.1 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.299 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 t -61.97 -40.21 86.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -124.87 67.61 1.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 41' ' ' THR . 0.7 OUTLIER -177.89 -37.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.263 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 95.6 m -86.5 -26.94 24.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 108.313 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.489 ' HA ' ' CB ' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -75.36 -20.79 58.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.287 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.497 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -53.72 -62.83 1.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 49' ' ' PHE . 5.0 mtp180 -168.99 47.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 2.3 p 85.12 150.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 1.155 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -108.29 -175.3 2.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 108.283 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.45 -156.11 0.6 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.861 ' HA ' HD23 ' A' ' 57' ' ' LEU . 1.4 mp -135.48 24.46 3.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.8 -31.57 5.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -18.64 62.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.861 HD23 ' HA ' ' A' ' 54' ' ' LEU . 2.5 pp -71.11 -17.13 62.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -78.26 2.18 19.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.473 ' CE ' ' OG1' ' A' ' 41' ' ' THR . 2.0 ppp? -104.54 -27.46 11.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.817 ' CE2' HD22 ' A' ' 10' ' ' LEU . 5.0 m-85 -73.98 -38.39 64.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.559 ' O ' ' C ' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -45.94 97.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 1.109 ' HB3' ' HD3' ' A' ' 63' ' ' PRO . . . -28.16 -69.57 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 1.109 ' HD3' ' HB3' ' A' ' 62' ' ' ALA . 18.5 Cg_endo -74.96 121.27 6.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.682 ' C ' HD23 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -90.04 143.51 26.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.644 ' HE3' ' HD2' ' A' ' 66' ' ' PRO . 0.3 OUTLIER -177.5 146.92 0.64 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.644 ' HD2' ' HE3' ' A' ' 65' ' ' LYS . 18.3 Cg_endo -75.02 84.25 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 60.89 151.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.688 ' NZ ' HH11 ' A' ' 21' ' ' ARG . 0.0 OUTLIER -107.69 116.08 31.3 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.28 41.15 32.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 117.048 -1.453 . . . . 0.0 109.311 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.985 ' CA ' ' SG ' ' A' ' 52' ' ' CYS . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.404 ' O ' ' CG ' ' A' ' 3' ' ' GLU . 18.2 Cg_endo -74.86 82.49 1.96 Allowed 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 122.111 1.874 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 4' ' ' THR . 5.6 mt-10 -164.82 38.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.553 ' O ' HD23 ' A' ' 5' ' ' LEU . 72.6 p 46.57 97.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.374 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.994 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 74.5 mt -154.64 -129.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.994 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 56.0 m 148.13 73.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 108.288 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.708 ' N ' HD21 ' A' ' 10' ' ' LEU . . . 143.0 64.38 0.02 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.494 ' O ' ' CB ' ' A' ' 12' ' ' ASP . . . -159.69 -68.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 1.042 ' CB ' ' SG ' ' A' ' 47' ' ' CYS . 4.2 mm-40 -87.05 15.26 6.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.001 HD13 HG13 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -118.27 -38.99 3.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.975 HG12 ' NE2' ' A' ' 15' ' ' GLN . 2.1 t -98.08 -48.13 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 8' ' ' ALA . 1.3 t70 -65.63 -35.23 80.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.69 ' CB ' HD11 ' A' ' 57' ' ' LEU . . . -48.53 -53.16 19.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.021 ' HA ' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -69.2 -34.18 74.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.975 ' NE2' HG12 ' A' ' 11' ' ' VAL . 70.4 mt-30 -79.22 6.33 10.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -99.49 -66.46 0.9 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.505 ' CG2' ' OE1' ' A' ' 58' ' ' GLU . 2.8 t -77.99 -27.59 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 1.002 ' SG ' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -94.08 1.34 56.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 108.339 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . -33.19 -40.23 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.91 33.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.778 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.445 ' HB3' ' CB ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -98.75 -32.21 11.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.2 65.38 0.25 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.531 ' HB3' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -61.29 164.71 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.603 ' CG ' ' O ' ' A' ' 24' ' ' TYR . 2.4 p90 -177.92 107.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.858 ' CE1' HD22 ' A' ' 14' ' ' LEU . 1.7 m-85 -88.35 36.39 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.526 ' OD1' ' CD2' ' A' ' 24' ' ' TYR . 20.4 p-10 -74.87 -20.42 59.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.627 ' HG3' ' HD2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -54.55 141.76 53.75 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.73 ' O ' HG23 ' A' ' 29' ' ' THR . 18.3 Cg_endo -74.97 136.29 20.26 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.54 1.81 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 28' ' ' PRO . 1.6 p -160.69 128.81 4.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.595 ' C ' ' CG ' ' A' ' 31' ' ' TYR . . . 154.77 -22.62 0.62 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 168.03 88.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.993 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -97.49 47.41 1.58 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.0 m 73.17 92.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 0.773 . . . . 0.0 109.968 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 t 60.96 85.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.3 p 176.48 121.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -105.66 124.73 50.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.81 172.42 18.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.559 ' HB3' ' CA ' ' A' ' 42' ' ' GLY . . . -43.01 144.2 1.12 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.95 5.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.469 ' O ' ' CB ' ' A' ' 41' ' ' THR . 10.5 mt-30 53.53 60.8 3.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.351 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.9 HG21 HG23 ' A' ' 44' ' ' VAL . 0.9 OUTLIER 168.0 -42.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.403 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.559 ' CA ' ' HB3' ' A' ' 38' ' ' ALA . . . 39.59 30.72 0.2 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.827 ' H ' HG22 ' A' ' 41' ' ' THR . 1.1 mm -131.37 5.09 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 0.799 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.001 HG13 HD13 ' A' ' 10' ' ' LEU . 58.4 t -108.55 -17.64 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -91.17 18.45 6.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.32 -60.82 1.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 1.042 ' SG ' ' CB ' ' A' ' 9' ' ' GLU . 88.0 m -93.47 34.33 1.18 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . 14.7 t -85.28 -39.64 17.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 108.34 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.611 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -108.39 -79.69 0.58 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.5 ttp-105 -158.51 25.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.543 ' OG ' ' CD2' ' A' ' 49' ' ' PHE . 0.7 OUTLIER -97.24 25.67 5.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.955 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.986 ' SG ' ' HB2' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -50.28 129.38 21.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.583 ' C ' HD12 ' A' ' 54' ' ' LEU . 4.7 t0 -171.92 173.13 4.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.79 ' HA ' HD22 ' A' ' 57' ' ' LEU . 5.0 mp -129.2 -114.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.543 ' C ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER 26.23 47.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.304 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 54' ' ' LEU . 3.6 tmm_? 178.69 -53.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.79 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -74.54 -2.92 27.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.759 ' N ' HD23 ' A' ' 57' ' ' LEU . 50.0 mm-40 -95.49 6.88 47.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.09 22.22 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.765 ' CE2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -139.39 22.18 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 1.021 ' SG ' ' HA ' ' A' ' 14' ' ' LEU . 2.7 p -175.72 102.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 108.327 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.806 ' CB ' ' O ' ' A' ' 61' ' ' CYS . . . 126.11 -52.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.796 ' HD3' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.03 11.35 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.532 1.806 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.588 ' HB2' ' CD1' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -36.85 149.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -176.05 90.5 0.27 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 168.82 23.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 62.61 82.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.12 138.7 35.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.46 96.11 8.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.076 -1.44 . . . . 0.0 109.293 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.502 ' O ' ' CG2' ' A' ' 4' ' ' THR . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.68 -176.14 2.65 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 121.833 1.688 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 68.54 28.73 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.628 ' OG1' ' SG ' ' A' ' 47' ' ' CYS . 12.6 p -82.19 -143.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.416 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.725 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 6.4 mt -107.83 -109.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.725 ' SG ' ' O ' ' A' ' 5' ' ' LEU . 24.3 m -165.6 83.41 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 108.347 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.689 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . 144.7 73.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 7' ' ' GLY . . . 163.36 -36.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 0.724 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.881 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -52.31 -40.8 62.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.626 ' CD1' ' CE2' ' A' ' 25' ' ' PHE . 1.4 tm? -42.66 -51.02 5.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.633 HG12 HE21 ' A' ' 15' ' ' GLN . 12.8 t -51.48 -49.38 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -52.69 -64.55 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.947 ' HB1' HD11 ' A' ' 57' ' ' LEU . . . -34.84 -34.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.902 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 1.6 mt -72.36 -60.23 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.633 HE21 HG12 ' A' ' 11' ' ' VAL . 32.4 mm-40 -40.49 -26.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.594 ' CD1' ' HG3' ' A' ' 58' ' ' GLU . 32.0 t80 -66.5 -75.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 111.016 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.602 HG23 ' HB2' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -66.75 -54.72 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.366 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.902 ' SG ' ' HB3' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -41.94 -52.69 4.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 108.282 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . 31.57 49.55 0.27 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.518 ' O ' ' C ' ' A' ' 21' ' ' ARG . 1.8 m-20 158.93 49.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.589 ' HA ' ' CZ ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER 28.58 50.87 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.318 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.927 ' O ' ' HB2' ' A' ' 62' ' ' ALA . . . -128.46 65.07 0.59 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.535 1.147 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.945 ' HA ' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -114.8 158.1 22.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 110.949 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -100.78 -73.29 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.626 ' CE2' ' CD1' ' A' ' 10' ' ' LEU . 0.9 OUTLIER 65.05 41.63 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 27' ' ' LYS . 1.2 m-20 -120.95 12.14 11.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.606 ' HD2' ' HB2' ' A' ' 38' ' ' ALA . 9.6 mmtp 60.11 152.08 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 117.55 4.94 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.768 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.63 HG23 ' N ' ' A' ' 30' ' ' GLY . 1.7 t -133.75 -163.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.375 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.63 ' N ' HG23 ' A' ' 29' ' ' THR . . . 143.3 -14.54 2.3 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.614 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 167.52 87.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 111.015 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.47 95.03 1.82 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 167.59 135.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.42 92.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 m -167.0 139.81 3.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.1 160.19 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.409 ' CD ' ' OG1' ' A' ' 41' ' ' THR . 0.1 OUTLIER 55.39 172.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 110.346 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 1.075 ' HB3' ' HD3' ' A' ' 39' ' ' PRO . . . -115.96 -70.98 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 1.075 ' HD3' ' HB3' ' A' ' 38' ' ' ALA . 18.2 Cg_endo -75.01 47.38 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 48.62 62.29 2.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.331 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 45' ' ' ASP . 25.2 m 70.6 14.81 7.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.367 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.16 -36.68 85.83 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.62 HG23 ' CD ' ' A' ' 39' ' ' PRO . 42.2 pt -65.22 -21.58 29.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.452 ' CG2' HG13 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -113.02 -2.54 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 41' ' ' THR . 90.1 m-20 -119.24 21.29 12.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.635 ' OE1' HD22 ' A' ' 57' ' ' LEU . 14.8 pt-20 -96.93 -42.69 7.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.628 ' SG ' ' OG1' ' A' ' 4' ' ' THR . 27.1 t -96.01 -24.87 16.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 108.322 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.6 t -43.7 -28.61 0.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 108.268 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.506 ' O ' ' CG ' ' A' ' 50' ' ' ARG . 71.8 m-85 -97.4 -76.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.93 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 49' ' ' PHE . 1.7 mtt85 -167.87 29.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -127.13 97.41 4.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.004 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.881 ' SG ' ' HB2' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -109.42 16.34 22.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.282 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' A' ' 54' ' ' LEU . 1.7 t70 -139.9 -78.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.538 ' O ' ' CB ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER 89.61 -56.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER 86.73 -26.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HB3' HD12 ' A' ' 54' ' ' LEU . 0.4 OUTLIER -100.11 -40.33 7.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.947 HD11 ' HB1' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -70.01 -8.01 45.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.724 ' OE1' ' HB1' ' A' ' 13' ' ' ALA . 3.3 mm-40 -68.25 -21.25 64.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.37 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.444 ' CG ' ' O ' ' A' ' 56' ' ' ARG . 2.2 ppp? -64.63 -10.42 26.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.427 ' CD1' ' O ' ' A' ' 57' ' ' LEU . 10.0 m-85 -70.1 -5.6 28.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.945 ' SG ' ' HA ' ' A' ' 23' ' ' PHE . 45.7 t -105.97 -139.58 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 108.286 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.927 ' HB2' ' O ' ' A' ' 22' ' ' GLY . . . -71.15 113.75 21.79 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 132.73 15.74 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.452 1.764 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.16 8.9 18.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' HB2' ' HD2' ' A' ' 66' ' ' PRO . 9.4 pttt -61.3 171.24 1.3 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 65' ' ' LYS . 18.1 Cg_endo -75.05 150.48 38.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.789 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -172.59 145.02 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -164.85 87.0 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.89 -82.81 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.011 -1.471 . . . . 0.0 109.296 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.613 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.613 ' HD3' ' H2 ' ' A' ' 1' ' ' GLY . 18.4 Cg_endo -74.66 176.07 10.27 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 121.843 1.695 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.498 ' O ' ' OG1' ' A' ' 4' ' ' THR . 19.6 mt-10 83.98 4.69 0.76 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 1.095 ' CG2' ' SG ' ' A' ' 52' ' ' CYS . 5.8 p 58.49 124.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.59 ' O ' HD23 ' A' ' 5' ' ' LEU . 2.8 tt -107.81 8.95 29.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.744 ' SG ' ' O ' ' A' ' 48' ' ' CYS . 10.9 p -162.85 29.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 108.327 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.769 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -160.15 -102.49 0.18 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 95.1 97.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 0.756 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -151.09 -43.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.803 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 17.2 tp -65.81 -36.87 84.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 1.037 HG12 HE22 ' A' ' 15' ' ' GLN . 86.7 t -40.05 -28.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' A' ' 10' ' ' LEU . 27.7 t70 -88.65 40.39 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.709 ' CB ' HD12 ' A' ' 10' ' ' LEU . . . -126.63 -46.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.931 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -87.54 -21.3 25.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 1.037 HE22 HG12 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -74.95 -5.07 41.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.833 ' CZ ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -127.01 -29.44 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.985 HG12 ' SG ' ' A' ' 61' ' ' CYS . 3.9 t -79.71 -27.45 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.5 ' O ' ' C ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -132.99 21.89 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.327 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.5 ' C ' ' O ' ' A' ' 18' ' ' CYS . . . -29.83 95.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.2 m-20 68.32 80.89 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.655 HH21 ' HB2' ' A' ' 21' ' ' ARG . 11.1 tpp85 -150.6 -45.67 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.29 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.89 ' O ' ' HB3' ' A' ' 62' ' ' ALA . . . 144.36 101.49 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.627 ' CD1' ' N ' ' A' ' 23' ' ' PHE . 0.5 OUTLIER -73.55 -170.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 0.0 111.021 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.636 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -162.3 -151.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.636 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 35.5 p90 37.82 93.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.572 ' CB ' ' O ' ' A' ' 25' ' ' PHE . 1.6 t-20 88.07 -28.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.831 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -47.44 -57.34 9.9 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.831 ' HD3' ' HB3' ' A' ' 27' ' ' LYS . 18.4 Cg_endo -74.99 146.42 32.67 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.567 HG22 ' C ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER 175.99 150.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.542 ' C ' ' CG ' ' A' ' 31' ' ' TYR . . . 165.53 106.84 0.2 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.143 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.542 ' CG ' ' C ' ' A' ' 30' ' ' GLY . 0.7 OUTLIER 70.31 85.08 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 111.013 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.85 101.93 2.03 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 p -87.77 163.29 16.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 109.992 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.65 130.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.035 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.58 134.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 mmt-85 -151.67 160.67 43.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.696 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -69.54 -152.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.896 ' HB1' ' HD2' ' A' ' 39' ' ' PRO . . . 84.24 -179.29 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.896 ' HD2' ' HB1' ' A' ' 38' ' ' ALA . 18.4 Cg_endo -75.05 112.99 3.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.548 ' O ' ' CB ' ' A' ' 41' ' ' THR . 0.5 OUTLIER -135.02 63.82 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.339 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.841 HG23 HH21 ' A' ' 56' ' ' ARG . 2.0 m 86.14 -22.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.43 -35.89 4.7 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.025 HD13 ' CZ ' ' A' ' 60' ' ' TYR . 2.9 mp -61.14 -12.0 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 40' ' ' GLN . 11.5 t -106.84 -59.04 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -63.44 -62.44 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.629 ' HA ' ' HB2' ' A' ' 49' ' ' PHE . 4.3 mm-40 -59.46 -22.32 61.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -59.67 -68.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.744 ' O ' ' SG ' ' A' ' 6' ' ' CYS . 8.3 t -62.71 -11.57 18.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 108.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.629 ' HB2' ' HA ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -77.26 7.75 4.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 51' ' ' SER . 2.0 ttm180 81.91 29.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 2.4 t 157.63 97.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.036 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 1.227 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -64.35 -14.24 55.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 108.312 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.767 ' CB ' ' O ' ' A' ' 52' ' ' CYS . 82.8 m-20 119.71 -158.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.757 HD22 ' HA ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -169.64 32.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -156.72 22.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.318 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.841 HH21 HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -120.91 -29.73 4.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 110.289 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.852 HD13 ' HB3' ' A' ' 14' ' ' LEU . 10.7 mt -71.43 -12.79 61.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.425 ' HA ' HG11 ' A' ' 17' ' ' VAL . 4.9 mt-10 -65.96 -9.15 27.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -116.72 -12.37 10.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 111.063 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 1.025 ' CZ ' HD13 ' A' ' 43' ' ' ILE . 2.0 m-30 -78.09 -27.12 48.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.955 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.985 ' SG ' HG12 ' A' ' 17' ' ' VAL . 20.5 m -34.32 98.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 108.304 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.89 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -77.54 144.62 70.11 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -75.05 129.24 12.12 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 tp -43.77 144.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.91 157.1 0.24 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 97.21 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.31 82.09 1.87 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.07 158.28 43.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.1 p 42.9 81.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.959 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 117.041 -1.457 . . . . 0.0 109.272 179.999 . . . . . . . . 0 0 . 1 stop_ save_