data_1j5h_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 1j5h _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 ' 4' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.556 0.217 . . . . 0.0 110.446 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 97' ' ' LEU . . . -98.44 156.76 16.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.455 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 26.5 p -151.62 157.15 41.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.567 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.1 t -109.75 136.63 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.53 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.62 -58.78 0.98 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.567 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.5 Cg_endo -74.99 175.58 11.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.558 1.82 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.453 ' HA ' HG12 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -159.09 16.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.623 1.202 . . . . 0.0 110.009 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.458 ' CB ' ' HB3' ' A' ' 111' ' ' SER . 20.4 p 167.56 159.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.412 ' C ' HD21 ' A' ' 13' ' ' LEU . . . 65.77 35.82 91.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.549 HD11 ' CG1' ' A' ' 69' ' ' VAL . 4.6 mt -93.8 -149.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -150.92 168.1 25.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.615 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 13.4 p-10 -63.59 94.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.458 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 95.84 35.94 5.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.558 1.161 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.466 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -66.32 80.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 0.757 . . . . 0.0 110.437 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 6.2 t -72.21 96.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.529 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 33.4 m -120.32 178.82 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' O ' HG22 ' A' ' 21' ' ' VAL . 1.1 ttpt -65.99 140.33 58.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.521 HG22 ' CG1' ' A' ' 7' ' ' VAL . 73.7 t -143.16 141.22 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.39 1.056 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.429 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -145.98 154.54 42.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.626 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 109.67 171.96 20.5 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.538 1.149 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.626 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 153.49 -163.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.28 -6.84 2.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 54.87 59.7 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.527 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 20.7 mm-40 -86.8 -98.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 176.17 93.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.54 17.7 13.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.075 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.0 m -81.5 164.14 22.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 0.809 . . . . 0.0 110.457 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.4 145.89 29.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CD1' HD21 ' A' ' 97' ' ' LEU . 3.7 m-85 -143.75 77.12 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -45.52 117.83 1.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.16 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.488 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 73.6 t -58.43 153.73 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.98 153.57 24.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.539 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -146.15 119.78 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.35 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.514 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 19.6 m -123.12 178.23 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.554 ' CB ' ' SG ' ' A' ' 93' ' ' CYS . . . -128.6 108.33 10.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -87.43 111.78 21.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 107.998 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 83.9 t -100.54 -106.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 43' ' ' GLY . 8.4 t0 -89.16 39.43 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m 65.79 -66.02 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.43 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -63.66 -14.17 53.91 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 t -115.9 93.66 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 tt -120.98 107.72 13.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 83' ' ' TRP . . . -94.66 102.04 13.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.514 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -74.89 157.29 35.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 108.254 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.602 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 7.5 t-20 -114.2 91.06 21.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 41.26 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -134.58 2.85 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.453 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -45.7 -56.1 5.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.476 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.95 -55.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.956 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.488 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.9 m -31.89 149.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.3 p -141.7 131.67 24.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.948 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.528 HG23 ' CG2' ' A' ' 65' ' ' THR . 6.3 p -115.77 145.95 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.6 m -104.94 146.53 28.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.457 ' HB3' ' HA2' ' A' ' 61' ' ' GLY . . . -79.62 166.25 22.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.5 p30 -126.57 120.33 29.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.632 1.207 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.06 -89.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.619 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.1 t-20 -36.57 -46.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.553 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.14 1.32 6.27 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.459 1.1 . . . . 0.0 111.059 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -79.11 132.89 36.73 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.443 0.731 . . . . 0.0 110.014 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -65.16 159.21 24.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.0 p -162.31 106.21 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.958 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.528 ' CG2' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.1 -177.92 0.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.499 ' N ' ' CG2' ' A' ' 65' ' ' THR . 0.8 OUTLIER -94.02 124.82 38.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 5.1 mp -114.54 141.16 48.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.519 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 5.1 t -82.26 110.26 17.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.549 ' CG1' HD11 ' A' ' 13' ' ' LEU . 4.6 t -84.61 63.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.651 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -37.18 154.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.71 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 4.4 tmm_? -110.82 -63.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.478 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 97.0 p -117.8 145.44 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.932 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 52.3 p90 -178.89 -165.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 110.955 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 2.6 pt-20 -111.95 117.4 32.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -113.88 172.87 14.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 82' ' ' ARG . 1.5 t80 -149.81 140.31 22.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 111.076 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.641 ' O ' ' HB2' ' A' ' 78' ' ' PHE . 4.3 mm? -49.8 -70.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.641 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 67.8 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.579 ' HB2' ' CE2' ' A' ' 76' ' ' PHE . 32.7 ttp180 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.451 ' HA ' ' CE3' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -65.88 -78.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 107.977 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 124.25 161.8 11.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.442 ' O ' ' CG2' ' A' ' 85' ' ' THR . 1.3 m -65.54 68.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 110.347 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 84' ' ' GLY . 8.5 p -126.32 172.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.478 ' HA ' ' CB ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -65.58 136.8 56.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -95.0 -22.83 17.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 108.281 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 112' ' ' PHE . 2.5 t -52.33 -23.77 6.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -22.78 49.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -115.08 18.12 16.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 35.42 69.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.554 ' SG ' ' CB ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -51.63 -179.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.293 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 15.7 pm0 -148.69 150.95 34.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.487 ' CG1' HG23 ' A' ' 7' ' ' VAL . 12.6 p -131.74 121.72 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.425 ' HA3' ' CG ' ' A' ' 106' ' ' GLU . . . -138.62 -174.21 13.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.467 1.105 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.577 HD21 ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -83.35 145.44 29.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.751 . . . . 0.0 109.357 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -137.24 137.15 38.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.919 ' HD2' ' ND2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.919 ' ND2' ' HD2' ' A' ' 99' ' ' ASP . 9.3 p-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -42.43 167.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.594 1.184 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.3 22.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.425 ' CG ' ' HA3' ' A' ' 96' ' ' GLY . 27.5 mm-40 -80.64 -156.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.27 29.38 0.11 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.408 1.068 . . . . 0.0 111.061 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.51 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 2.7 t -105.03 78.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.34 104.73 5.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.507 HG22 ' CD1' ' A' ' 13' ' ' LEU . 1.8 mt -109.34 141.33 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 11' ' ' SER . 0.9 OUTLIER -85.38 108.17 17.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.916 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.71 ' CD2' ' HA ' ' A' ' 71' ' ' ARG . 12.9 m-30 -85.89 145.09 27.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 112' ' ' PHE . 62.0 t30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.462 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -100.55 168.74 9.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.462 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 16.7 p -151.8 157.91 42.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.572 ' CG2' ' CD1' ' A' ' 110' ' ' ILE . 10.0 t -100.01 119.74 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.573 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -27.79 -60.34 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.393 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.573 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.07 -91.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.493 1.786 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 2.2 p 89.83 24.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.036 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.523 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 87.5 p -176.17 157.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.078 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.14 41.71 47.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.503 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 52.7 mt -99.74 -145.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.48 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.6 t -162.52 162.44 27.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.503 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 6.7 p-10 -57.32 98.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.494 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 94.1 39.3 4.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.503 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 2.9 m -80.77 91.33 5.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.8 t -71.24 90.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -108.66 172.27 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -77.08 143.11 39.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 6' ' ' THR . 91.0 t -137.15 138.66 45.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -137.8 157.1 47.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.639 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 101.67 -179.74 27.89 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.639 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 150.61 -160.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.79 -1.24 2.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.56 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.4 tp 47.86 62.59 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.804 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 6.6 mm-40 -89.97 -99.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.235 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 178.22 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.39 13.95 18.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.0 m -74.29 165.3 25.42 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.53 0.782 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.42 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -86.03 146.98 26.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.579 ' CD1' HD21 ' A' ' 97' ' ' LEU . 7.6 m-85 -143.19 77.68 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -50.66 122.59 7.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.624 ' CG1' ' HD2' ' A' ' 51' ' ' ASP . 97.0 t -65.2 149.55 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.429 ' N ' HG13 ' A' ' 34' ' ' VAL . . . -142.78 145.31 15.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.613 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -130.19 113.58 14.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 0.742 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 4.6 m -124.87 169.2 12.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 108.274 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.47 104.89 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.072 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.448 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -77.59 119.86 21.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 107.978 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.431 HG21 ' CZ2' ' A' ' 83' ' ' TRP . 16.4 t -109.97 -27.4 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.412 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -177.88 172.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.4 m -54.71 90.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 102.31 -6.85 53.63 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.098 . . . . 0.0 110.957 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.412 ' HB ' ' N ' ' A' ' 41' ' ' ASP . 2.7 t -98.42 39.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -98.55 111.54 23.87 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.578 ' HB3' ' CD1' ' A' ' 83' ' ' TRP . . . -86.57 100.0 12.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.376 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.508 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -82.35 145.43 29.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 108.303 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.616 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 30.6 t30 -116.09 80.38 9.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.99 26.47 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.614 ' O ' ' CG ' ' A' ' 52' ' ' PHE . . . -114.26 0.51 14.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.624 ' HD2' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -48.71 -42.87 36.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 50' ' ' ALA . 9.1 m-85 70.12 -49.22 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.5 ' HB2' ' HD2' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -35.13 151.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 t -151.03 138.45 19.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.908 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.474 HG23 ' CB ' ' A' ' 63' ' ' ALA . 10.3 p -122.91 149.39 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m -106.31 148.76 27.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.448 ' HB3' ' HA2' ' A' ' 61' ' ' GLY . . . -77.2 171.12 15.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.9 p30 -132.2 121.06 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.512 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.35 -89.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.1 t-20 -36.98 -44.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.56 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.68 0.47 7.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.122 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 8.6 m -77.06 135.81 38.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 0.731 . . . . 0.0 109.955 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.474 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -78.38 157.1 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 0.0 109.35 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' A' ' 65' ' ' THR . 21.5 p -155.89 110.68 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.468 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.94 166.74 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.4 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 10.0 p -88.73 127.88 35.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.468 ' HG ' ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -110.2 144.86 38.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.59 ' CG2' ' CZ ' ' A' ' 70' ' ' ARG . 9.1 t -84.77 99.65 11.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.39 1.056 . . . . 0.0 110.386 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.674 HG11 ' CZ ' ' A' ' 112' ' ' PHE . 19.8 t -72.34 63.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.216 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.59 ' CZ ' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -63.21 129.72 41.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.503 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 5.1 tmm_? -89.46 -72.54 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.4 p -70.55 96.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.616 ' CE2' ' HB2' ' A' ' 48' ' ' ASN . 4.2 p90 -138.1 156.53 47.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -92.22 98.73 11.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.402 ' CA ' ' CE2' ' A' ' 73' ' ' PHE . . . -97.91 150.44 19.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.584 ' CE2' ' HD2' ' A' ' 82' ' ' ARG . 5.0 m-85 -119.13 136.28 54.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.732 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 5.8 mp -55.55 -49.77 71.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.496 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.584 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.578 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 45.4 m95 -77.62 -66.68 0.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 0.0 107.974 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.575 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 87.95 126.87 2.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.575 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.8 OUTLIER 23.86 81.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 110.327 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.7 p -128.67 150.77 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -80.96 118.31 22.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.67 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -63.96 -40.11 95.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 108.354 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.0 t -54.18 -24.51 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.3 m -82.95 -19.62 36.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.537 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -126.67 23.13 6.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 30.11 56.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.253 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.593 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 1.6 p -51.83 -175.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 108.241 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.495 ' CB ' ' C ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -146.49 159.19 43.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.34 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.55 ' CG1' HD13 ' A' ' 110' ' ' ILE . 3.1 p -135.21 98.27 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.491 ' HA3' ' CB ' ' A' ' 106' ' ' GLU . . . -116.18 177.08 16.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.579 HD21 ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -80.74 155.37 26.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 0.742 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.566 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -144.99 130.31 18.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.965 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.579 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.579 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 91.02 173.95 43.86 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.73 11.7 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.555 1.819 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.491 ' CB ' ' HA3' ' A' ' 96' ' ' GLY . 1.1 tp10 -79.37 -55.66 4.9 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 112.81 15.22 9.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.495 ' C ' ' CB ' ' A' ' 94' ' ' GLN . 15.0 t -71.99 70.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.584 0.814 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.95 118.15 7.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.246 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.572 ' CD1' ' CG2' ' A' ' 7' ' ' VAL . 88.5 mt -121.09 149.33 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.523 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -93.48 100.47 12.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.674 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 5.0 m-85 -85.07 15.07 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 112' ' ' PHE . 1.3 t30 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.496 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -103.19 161.26 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.496 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 1.8 p -153.27 162.52 41.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.437 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.558 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 5.4 t -115.72 133.94 60.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.594 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -32.31 -61.44 0.32 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 110.392 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.594 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.01 -84.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER 86.47 24.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.986 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.2 p -178.61 139.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.959 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 72.97 33.45 59.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.528 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 8.3 mt -94.45 -151.3 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.805 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.23 171.76 18.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.523 ' CB ' ' HG3' ' A' ' 71' ' ' ARG . 30.7 t0 -67.2 100.1 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' OG1' ' A' ' 68' ' ' THR . . . 100.86 27.64 7.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.528 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 2.1 m -78.48 80.08 4.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 110.36 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 10.4 t -72.61 94.87 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -116.09 169.88 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.15 131.59 51.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.505 HG22 ' CG1' ' A' ' 7' ' ' VAL . 73.6 t -134.59 139.75 47.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.419 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -140.88 154.21 46.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.598 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 107.47 171.51 22.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.598 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 155.48 -161.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.68 -4.63 3.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.551 1.157 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.539 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.1 tp 53.34 60.41 3.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.438 0.728 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.524 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 7.9 mm-40 -84.99 -99.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 174.47 90.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 55.12 19.92 18.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 1.2 m -85.38 164.02 18.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.415 ' N ' ' CG2' ' A' ' 30' ' ' THR . . . -76.78 147.54 37.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.547 ' CD1' HD21 ' A' ' 97' ' ' LEU . 3.1 m-85 -145.95 79.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -48.83 118.73 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.493 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 48.5 t -54.62 155.44 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.215 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.478 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -136.15 -169.15 11.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.389 1.056 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.528 ' HG2' ' CB ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER 172.17 120.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 0.734 . . . . 0.0 110.243 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 11.4 m -134.48 172.98 12.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.507 ' CB ' ' HB2' ' A' ' 93' ' ' CYS . . . -145.16 127.14 15.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.453 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 44.3 t90 -79.06 129.32 34.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.024 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.572 HG12 ' CZ2' ' A' ' 83' ' ' TRP . 88.7 t -114.34 -102.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.45 ' N ' HG13 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -56.62 -162.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -76.0 -46.1 31.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.76 32.14 5.28 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.459 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 13.8 t -124.5 127.35 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.436 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.8 tt -132.64 102.17 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -74.58 104.48 5.29 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.481 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -84.02 159.51 21.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.596 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 8.6 t-20 -114.47 86.01 11.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -74.94 39.22 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.462 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.78 2.99 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -42.92 -52.04 5.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.393 1.058 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 65.81 -54.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.8 m -34.12 152.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 p -139.77 137.13 34.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 110.059 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 63' ' ' ALA . 3.1 p -125.66 160.04 32.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.431 ' N ' HG23 ' A' ' 55' ' ' VAL . 1.5 m -117.37 152.63 34.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.49 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -84.1 170.19 14.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.608 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.3 p30 -129.53 120.54 25.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.618 1.199 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.62 -90.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.39 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.608 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.9 m120 -35.4 -46.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.539 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.68 0.39 6.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 111.089 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 67.2 m -78.26 137.09 37.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.777 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -68.33 161.86 26.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.428 ' O ' ' HB ' ' A' ' 65' ' ' THR . 27.5 p -164.86 101.93 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.064 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.7 OUTLIER -179.98 174.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 110.431 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.404 ' N ' HG21 ' A' ' 65' ' ' THR . 16.2 m -84.47 120.48 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.952 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.522 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 6.1 mp -114.73 138.49 50.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.259 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.569 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -76.96 117.88 19.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 110.425 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.635 HG13 ' CE2' ' A' ' 112' ' ' PHE . 11.9 t -87.47 63.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.569 ' NE ' ' O ' ' A' ' 68' ' ' THR . 1.0 OUTLIER -60.9 140.43 57.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.558 ' HB3' ' CG ' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -110.7 -74.95 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.081 . . . . 0.0 110.359 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.2 t -69.0 83.08 0.32 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.552 1.158 . . . . 0.0 109.923 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.615 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -132.33 150.48 52.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.497 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 2.3 pt-20 -77.55 120.17 22.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.592 1.182 . . . . 0.0 110.386 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -110.16 150.53 17.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.553 ' CE2' ' HD2' ' A' ' 82' ' ' ARG . 7.3 m-85 -113.39 133.78 54.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.622 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 10.6 mp -37.63 -60.95 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.622 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.4 t80 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.553 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.572 ' CZ2' HG12 ' A' ' 40' ' ' VAL . 13.6 m95 -96.85 -61.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 108.017 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.497 ' HA2' ' CB ' ' A' ' 74' ' ' GLU . . . 102.77 144.81 14.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.528 ' O ' ' CG2' ' A' ' 85' ' ' THR . 3.8 t 30.98 49.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.727 . . . . 0.0 110.355 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.447 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -80.34 119.69 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 90' ' ' THR . 1.1 m-20 -72.32 103.94 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.638 ' O ' ' N ' ' A' ' 92' ' ' ALA . 64.9 m -47.09 -38.92 12.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 108.273 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.6 t -59.07 -26.16 64.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 87' ' ' ASP . 30.6 m -77.13 -28.56 54.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.625 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -132.4 35.65 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 21.63 62.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.206 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.581 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -54.74 -171.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.092 . . . . 0.0 108.35 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.498 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -144.52 158.35 43.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.088 . . . . 0.0 110.302 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.559 ' CG1' ' CD1' ' A' ' 110' ' ' ILE . 7.6 p -140.3 111.98 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.11 -171.61 12.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.547 HD21 ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -72.66 154.46 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 0.754 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.525 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -143.22 95.44 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.022 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.499 ' HB3' ' CA ' ' A' ' 98' ' ' SER . 20.0 p30 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.17 -146.27 18.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 95.19 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.525 1.802 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 179.14 36.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.26 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -88.55 170.06 38.15 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.498 ' N ' ' HB2' ' A' ' 94' ' ' GLN . 11.3 p -95.6 119.06 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.633 0.843 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.53 110.75 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.226 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.559 ' CD1' ' CG1' ' A' ' 95' ' ' VAL . 63.7 mt -112.8 147.95 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.381 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -98.33 103.18 15.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.635 ' CE2' HG13 ' A' ' 69' ' ' VAL . 29.0 m-85 -86.46 129.11 34.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.239 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.555 0.217 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.504 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -112.6 160.27 18.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.504 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 2.6 p -153.27 165.12 36.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.539 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.6 t -96.16 135.18 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.538 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -38.25 -58.34 1.53 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.393 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.5 Cg_endo -74.87 175.73 10.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.439 1.757 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.453 ' HA ' HG12 ' A' ' 110' ' ' ILE . 10.1 p -153.36 16.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.045 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.483 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 80.9 p 176.39 161.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.34 35.68 90.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 13' ' ' LEU . 4.6 mt -89.46 -143.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 0.783 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.38 161.19 16.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 51.8 t0 -64.74 94.64 0.13 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.452 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 93.37 34.51 6.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.077 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.553 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.3 OUTLIER -82.39 96.89 8.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 110.384 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.7 t -75.26 101.56 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.466 HG22 ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -114.18 169.06 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.065 . . . . 0.0 109.238 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.98 127.91 33.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.515 HG22 ' CG1' ' A' ' 7' ' ' VAL . 78.7 t -128.07 139.13 52.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.06 159.85 41.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 101.15 174.14 28.86 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.59 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 156.7 -160.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.406 ' H ' ' HB3' ' A' ' 24' ' ' ALA . . . -63.73 0.23 3.32 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.536 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 3.5 tp 48.93 63.43 2.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.412 0.713 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.518 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 11.2 mm-40 -92.85 -102.25 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 110.353 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -178.53 84.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.42 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 61.46 13.5 37.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.69 159.06 33.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 0.728 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.601 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -69.08 149.11 49.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.592 1.182 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.646 ' CG ' ' CD2' ' A' ' 97' ' ' LEU . 3.7 m-30 -149.32 81.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.548 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -53.81 128.47 29.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.527 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 46.7 t -67.21 146.04 13.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.078 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -123.35 -173.36 14.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 170.04 116.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 15.0 m -128.03 175.4 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 93' ' ' CYS . . . -151.81 125.94 9.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -75.47 150.58 38.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 107.975 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.553 HG21 ' CD1' ' A' ' 83' ' ' TRP . 80.5 t -135.61 -106.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.489 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -58.7 163.87 3.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.1 m -62.43 89.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.15 -15.8 25.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.159 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.489 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 21.2 t -88.37 125.73 41.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.41 114.86 16.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -94.39 113.34 25.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.484 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -81.87 167.98 18.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.155 . . . . 0.0 108.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 28.0 t-20 -113.79 87.78 12.93 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.03 40.92 0.69 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -138.32 4.86 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 53' ' ' SER . 1.3 p30 -42.04 -57.28 2.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.413 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 67.5 -51.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 111.021 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.517 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.9 m -38.42 149.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.055 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.6 p -146.56 142.44 28.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.94 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.485 ' CG2' ' N ' ' A' ' 56' ' ' THR . 1.6 p -132.54 166.1 30.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.485 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.1 m -124.07 147.64 47.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.549 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -72.0 175.02 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.655 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.0 p30 -133.37 119.94 20.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.533 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.7 -88.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.655 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.3 m120 -36.27 -46.65 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.536 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.43 -1.15 6.5 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.576 1.173 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 4.8 m -79.57 141.66 36.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.045 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -78.58 156.08 29.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.1 p -157.46 106.08 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 66' ' ' SER . 0.6 OUTLIER -179.98 170.52 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.178 . . . . 0.0 110.414 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.427 ' N ' HG22 ' A' ' 65' ' ' THR . 15.8 m -86.29 125.54 33.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.966 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.527 ' HG ' ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -114.91 140.13 49.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.562 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -78.32 118.25 20.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.692 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 2.9 t -89.02 60.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.562 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.4 OUTLIER -48.11 136.39 11.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.228 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.524 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 1.3 ttp180 -106.88 -78.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 t -77.67 91.32 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 48' ' ' ASN . 7.2 p90 -138.62 165.57 26.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.466 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.9 OUTLIER -81.56 118.3 22.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.236 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.42 ' C ' ' HB2' ' A' ' 46' ' ' ALA . . . -97.36 143.17 16.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 33.9 m-85 -116.7 124.53 49.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 0.736 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.601 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 9.8 mt -39.85 -72.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.601 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.416 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 1.4 ppt_? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.553 ' CD1' HG21 ' A' ' 40' ' ' VAL . 71.1 m95 -73.91 -48.1 33.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 108.055 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.631 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 79.25 158.4 13.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 111.063 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.631 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER 15.49 72.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 110.391 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.0 p -120.39 143.6 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.21 116.24 22.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.678 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -65.4 -39.12 91.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.29 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.43 HG23 ' NE ' ' A' ' 71' ' ' ARG . 8.7 t -58.57 -22.26 55.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.6 m -83.08 -22.42 33.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.396 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.513 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -126.23 24.18 6.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 30.82 60.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.631 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 1.7 p -51.66 -177.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.469 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 12.6 pm0 -137.38 154.77 49.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 4.2 p -136.87 116.43 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.171 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -135.63 -158.66 8.3 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.547 1.154 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.646 ' CD2' ' CG ' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -93.82 165.2 12.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.221 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.548 ' O ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -154.05 116.29 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.047 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.418 ' HB2' ' OD1' ' A' ' 99' ' ' ASP . 1.6 t30 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -34.67 144.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.03 -178.38 4.14 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.441 1.758 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 1.7 mm-40 160.08 49.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.461 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -76.06 167.32 54.63 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 95' ' ' VAL . 2.6 p -101.77 119.98 50.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.75 107.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.494 HG23 ' CD1' ' A' ' 13' ' ' LEU . 66.2 mt -121.49 150.78 24.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.483 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -87.13 116.67 25.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.973 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.692 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 1.4 m-85 -96.6 126.32 41.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.4 t30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.437 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -105.71 152.37 23.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.498 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 3.2 p -149.49 159.86 43.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.395 1.059 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.535 HG13 ' CG2' ' A' ' 19' ' ' VAL . 2.1 t -83.57 115.43 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.607 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -37.19 -61.92 0.64 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.444 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.607 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.03 -91.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.561 1.821 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.494 ' HB2' ' CG1' ' A' ' 110' ' ' ILE . 9.5 p 72.43 40.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.959 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.513 ' HA ' ' HB2' ' A' ' 111' ' ' SER . 65.7 p -153.61 133.66 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.078 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.33 44.08 4.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.494 HD13 ' CG2' ' A' ' 69' ' ' VAL . 13.8 mt -79.99 -152.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.51 0.77 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.436 ' CB ' ' OG1' ' A' ' 17' ' ' THR . 0.1 OUTLIER -148.59 172.22 14.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.593 ' HA ' ' HB2' ' A' ' 71' ' ' ARG . 64.6 t0 -67.43 108.47 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.19 29.25 41.72 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.482 HG21 ' CG1' ' A' ' 19' ' ' VAL . 53.7 m -72.03 84.4 0.99 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.437 0.728 . . . . 0.0 110.414 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.6 t -65.52 78.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.578 ' O ' ' HA ' ' A' ' 66' ' ' SER . 21.7 m -85.23 -172.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -88.91 144.27 26.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.5 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 61.5 t -140.63 144.7 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -143.77 158.08 43.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.373 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.64 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 107.29 174.28 22.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.64 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 152.49 -161.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.22 -3.75 4.09 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 50.05 57.12 6.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 0.0 109.36 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.477 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 36.1 mm-40 -89.66 -100.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -179.13 89.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.442 ' N ' ' HB1' ' A' ' 57' ' ' ALA . . . 64.36 13.74 55.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.425 1.078 . . . . 0.0 111.085 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.413 ' N ' ' HB1' ' A' ' 57' ' ' ALA . 12.3 m -73.81 158.98 33.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 110.368 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.466 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -79.35 145.44 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.599 ' CD1' HD13 ' A' ' 97' ' ' LEU . 8.4 m-85 -145.67 76.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.03 134.69 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.507 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 3.6 t -76.27 154.75 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -127.42 -167.67 12.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.541 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 164.02 107.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.781 . . . . 0.0 110.255 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.571 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 39.7 m -124.38 179.67 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 108.358 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.51 ' CB ' ' SG ' ' A' ' 88' ' ' CYS . . . -125.06 129.02 49.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.496 ' CE3' ' NE2' ' A' ' 94' ' ' GLN . 0.6 OUTLIER -91.82 110.1 21.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 108.054 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.0 t -93.49 -116.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' GLY . 0.6 OUTLIER -90.57 37.18 0.9 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.433 1.083 . . . . 0.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 69.06 -59.31 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.474 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -65.25 -12.47 55.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.489 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 17.4 t -126.87 128.13 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.18 112.91 10.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.518 ' CB ' ' CD1' ' A' ' 83' ' ' TRP . . . -86.55 90.32 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.571 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -69.72 157.79 36.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 108.225 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 30.3 t-20 -115.34 84.26 11.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.95 44.79 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -142.23 6.33 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -51.99 -61.29 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.449 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 72.73 -45.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.507 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.8 m -36.27 155.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 t -151.16 139.94 20.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.488 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 7.7 p -121.96 148.45 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -110.22 145.67 36.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.414 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.496 ' HB2' ' HA2' ' A' ' 61' ' ' GLY . . . -71.18 169.03 15.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.657 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.0 p30 -131.71 120.19 22.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.51 -88.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.657 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.7 m-20 -38.2 -45.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.517 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.47 -1.09 6.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -77.6 136.85 38.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 109.958 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -75.01 159.17 32.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.435 ' O ' ' HB ' ' A' ' 65' ' ' THR . 90.6 p -162.17 117.62 1.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.563 HG21 ' N ' ' A' ' 66' ' ' SER . 12.5 t -176.99 -151.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.4 m -125.19 136.41 53.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.963 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 7.3 mp -120.71 135.92 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -76.15 99.83 4.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.376 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.68 HG12 ' CD2' ' A' ' 112' ' ' PHE . 60.5 t -69.58 62.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.664 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 6.8 mtm180 -46.64 131.07 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.593 ' HB2' ' HA ' ' A' ' 15' ' ' ASP . 12.9 mtp180 -79.89 -53.88 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 84.2 p -134.74 159.43 41.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.479 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 6.1 p90 178.1 -171.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -111.27 96.9 6.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -95.85 -166.9 34.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 9.0 m-85 -130.98 132.21 44.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.629 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 3.2 mp -49.67 -46.84 50.27 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.629 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 3.4 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.518 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -75.53 -79.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.041 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 142.43 161.73 8.91 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.418 ' HA ' ' C ' ' A' ' 73' ' ' PHE . 1.7 m -63.34 72.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.761 . . . . 0.0 110.45 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 84' ' ' GLY . 8.8 p -112.4 171.15 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.461 ' HA ' ' CB ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -70.96 136.04 48.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.566 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -98.5 -36.75 9.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -51.4 -35.49 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 110.42 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.19 -22.5 62.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -109.68 20.92 17.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 93' ' ' CYS . . . 39.12 70.19 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.97 -176.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.264 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.537 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.7 pm0 -160.2 146.97 15.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.488 ' HB ' ' CD1' ' A' ' 110' ' ' ILE . 40.7 t -130.92 109.59 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -120.8 -165.07 12.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.599 HD13 ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -97.62 155.87 16.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.484 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 29.4 t -157.41 114.41 3.01 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -144.0 -81.37 0.05 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.07 32.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.73 -52.15 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 111.94 25.6 4.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.468 ' CG1' HD11 ' A' ' 110' ' ' ILE . 93.8 t -72.5 76.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.449 0.735 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.53 109.49 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.573 ' HB ' ' CE1' ' A' ' 112' ' ' PHE . 4.9 mt -109.18 145.28 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.513 ' HB2' ' HA ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -89.17 90.57 8.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.68 ' CD2' HG12 ' A' ' 69' ' ' VAL . 45.0 m-85 -83.96 132.17 34.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.507 ' CG2' ' HG2' ' A' ' 105' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.538 ' O ' ' CA ' ' A' ' 107' ' ' GLY . . . -104.4 159.53 15.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.48 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 15.6 p -152.41 158.67 42.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 8' ' ' THR . 1.1 p -116.15 135.48 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.567 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.91 -59.74 0.6 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.635 ' O ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -74.97 -165.76 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 3.7 t 146.94 39.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.499 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 71.9 p -173.55 125.66 0.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.96 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 61.46 31.46 77.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.523 ' CD1' HG22 ' A' ' 110' ' ' ILE . 4.7 mt -78.7 -141.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.74 163.85 21.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.479 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 7.8 p-10 -66.8 99.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.45 22.18 8.78 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.486 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -64.4 80.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 110.435 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 21.0 t -69.88 114.52 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.469 HG21 ' CG ' ' A' ' 9' ' ' PRO . 2.7 m -139.52 -172.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -78.44 135.01 37.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 6' ' ' THR . 10.0 p -130.26 140.65 48.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.5 154.82 46.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.612 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 92.07 179.54 41.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 155.11 -149.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.476 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -64.8 -0.78 5.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.125 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.4 tp 50.86 50.18 19.58 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.4 0.706 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 28' ' ' ALA . 6.4 tp60 -69.53 -103.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 59' ' ' ALA . . . 176.96 78.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.3 55.99 14.28 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.418 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -136.61 160.31 39.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 110.371 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.97 149.85 4.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.447 ' OH ' ' C ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER -151.07 82.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.72 117.68 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.594 ' CG2' HD22 ' A' ' 67' ' ' LEU . 31.2 t -65.88 151.02 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.203 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -143.27 138.48 8.25 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.489 ' CG ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -125.82 120.96 31.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.254 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 10.2 m -138.4 173.83 11.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 108.326 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.561 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.43 107.62 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 12.0 p-90 -86.77 122.53 30.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 108.025 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.466 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 59.7 t -111.29 -27.56 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 43' ' ' GLY . 5.0 t0 179.37 61.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m 56.43 -85.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.465 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -64.09 -12.35 49.18 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.504 1.127 . . . . 0.0 111.061 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.467 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.5 t -105.71 43.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.373 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 4.5 tt -102.3 111.22 23.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.225 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB3' ' CD1' ' A' ' 83' ' ' TRP . . . -92.81 101.82 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -84.09 147.89 27.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.591 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 58.9 t30 -113.14 87.43 10.75 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.519 ' HG3' ' CE1' ' A' ' 76' ' ' PHE . 18.6 Cg_endo -74.89 32.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.46 1.768 . . . . 0.0 111.059 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.622 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -127.63 1.53 6.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.559 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -50.61 -51.01 52.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 13.6 m-85 69.34 -47.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 52' ' ' PHE . 3.9 m -26.96 142.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.369 1.043 . . . . 0.0 109.988 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.9 p -141.92 136.74 30.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.965 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.527 ' CG2' ' CG2' ' A' ' 65' ' ' THR . 3.7 t -141.19 165.53 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.392 1.058 . . . . 0.0 109.254 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.525 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 1.6 m -120.15 155.5 32.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.448 ' HB2' ' HA2' ' A' ' 61' ' ' GLY . . . -82.65 179.1 7.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.697 ' O ' ' N ' ' A' ' 60' ' ' ASN . 10.6 p30 -132.8 123.41 26.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.56 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 27.53 -86.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.697 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.3 m-20 -36.79 -47.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.517 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 127.09 1.59 6.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 20.7 m -88.84 142.89 27.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 0.715 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.503 ' CB ' HD23 ' A' ' 97' ' ' LEU . . . -70.68 173.68 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' A' ' 65' ' ' THR . 45.2 p -179.77 106.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.527 ' CG2' ' CG2' ' A' ' 55' ' ' VAL . 7.1 t 177.91 -136.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.502 ' N ' ' OG1' ' A' ' 65' ' ' THR . 16.5 m -129.28 130.76 46.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.594 HD22 ' CG2' ' A' ' 34' ' ' VAL . 6.0 mt -125.13 151.46 45.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.514 HG22 ' CZ ' ' A' ' 70' ' ' ARG . 8.7 t -88.06 102.52 14.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.517 HG13 ' CE2' ' A' ' 112' ' ' PHE . 21.2 t -69.41 64.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.587 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 1.6 mtm180 -55.67 143.91 28.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.236 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.529 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 3.4 ttp180 -117.27 -74.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 t -67.29 113.08 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.63 ' CE1' ' SG ' ' A' ' 88' ' ' CYS . 2.5 p90 -157.54 175.78 13.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.444 ' HB3' ' N ' ' A' ' 85' ' ' THR . 0.3 OUTLIER -129.91 93.65 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -94.26 178.49 37.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 47' ' ' CYS . 49.6 p90 -110.74 131.65 54.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.608 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -55.33 -48.53 74.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.608 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.1 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.42 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.584 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 6.6 m95 -51.36 -86.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.672 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 106.8 153.01 19.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.672 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.0 OUTLIER 9.56 72.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 0.725 . . . . 0.0 110.389 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' GLY . 4.8 p -121.11 131.5 72.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -81.75 113.56 19.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.63 ' SG ' ' CE1' ' A' ' 73' ' ' PHE . 1.5 m -45.13 -46.21 11.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.284 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' A' ' 112' ' ' PHE . 15.1 t -52.2 -33.44 40.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 87' ' ' ASP . 97.1 m -68.5 -25.52 65.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.565 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -128.45 24.37 5.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.077 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 27.28 56.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 1.5 p -51.41 180.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 108.322 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.468 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 5.3 pm0 -137.47 158.49 44.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.489 ' CG2' ' CG ' ' A' ' 36' ' ' GLN . 14.9 p -133.29 111.06 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.498 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -132.71 -160.58 9.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.414 1.071 . . . . 0.0 111.009 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.503 HD23 ' CB ' ' A' ' 63' ' ' ALA . 1.7 mp -114.53 158.69 21.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.766 . . . . 0.0 109.281 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.28 141.16 23.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.408 ' OD1' ' HB2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.408 ' HB2' ' OD1' ' A' ' 99' ' ' ASP . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.57 166.85 0.03 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.507 ' HG2' ' CG2' ' A' ' 4' ' ' THR . 18.4 Cg_endo -74.95 -161.1 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -69.72 -124.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.538 ' CA ' ' O ' ' A' ' 5' ' ' ALA . . . -128.84 -83.63 0.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 6' ' ' THR . 7.5 p -153.57 150.37 12.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.488 0.758 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.04 110.89 15.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.523 HG22 ' CD1' ' A' ' 13' ' ' LEU . 3.2 mt -97.23 138.38 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.499 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -93.0 87.31 5.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.617 ' CE1' ' HB3' ' A' ' 88' ' ' CYS . 14.4 m-85 -68.78 120.9 15.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.409 ' H ' ' N ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.501 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -99.9 166.13 11.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.501 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 3.5 p -153.01 155.73 37.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.388 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.588 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 6.7 t -126.91 141.13 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.586 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.13 -60.82 0.53 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.399 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.588 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.09 -163.88 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 110' ' ' ILE . 12.8 p -148.12 -26.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.037 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.613 ' HA ' ' O ' ' A' ' 111' ' ' SER . 81.2 p -169.79 167.76 9.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 75.77 23.46 72.4 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.517 1.135 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.496 ' CD1' HG21 ' A' ' 110' ' ' ILE . 4.9 mt -71.56 -143.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.317 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.452 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.7 t -161.4 161.14 30.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.527 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 37.0 t0 -57.56 90.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.369 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.433 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 97.29 40.23 3.77 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.445 1.091 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.452 ' OG1' ' N ' ' A' ' 14' ' ' SER . 1.1 m -71.14 82.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.363 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 6.0 t -71.51 94.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.9 m -127.63 169.9 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -56.09 141.77 39.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.521 HG21 ' CG1' ' A' ' 7' ' ' VAL . 67.8 t -144.44 140.24 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' N ' HG11 ' A' ' 21' ' ' VAL . . . -139.78 155.8 47.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.581 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 106.33 172.05 23.12 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 156.58 -156.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.336 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.401 ' H ' ' HB2' ' A' ' 24' ' ' ALA . . . -63.49 -3.13 6.67 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.625 ' N ' ' HH ' ' A' ' 32' ' ' TYR . 4.0 tp 51.91 68.32 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.756 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.568 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -94.55 -85.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.24 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 158.14 99.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 44.63 38.04 5.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -109.27 155.3 21.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 110.458 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.8 147.78 48.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.625 ' HH ' ' N ' ' A' ' 26' ' ' LEU . 6.3 m-85 -146.4 78.21 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' SER . 2.4 t70 -55.65 119.96 6.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.533 ' CG2' ' HB3' ' A' ' 53' ' ' SER . 46.2 t -55.56 157.48 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -122.65 -72.69 0.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 111.057 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.1 tp60 69.91 106.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 0.783 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.596 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 49.0 m -127.53 179.09 5.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 108.328 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.586 ' CB ' ' SG ' ' A' ' 93' ' ' CYS . . . -124.75 77.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -65.94 103.89 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.052 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.497 HG21 ' CB ' ' A' ' 91' ' ' ALA . 4.0 t -109.0 -129.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.1 -174.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.5 m -72.52 90.94 1.36 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.5 -7.58 36.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.568 1.167 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.546 HG11 ' CZ2' ' A' ' 83' ' ' TRP . 24.6 t -89.55 54.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.786 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 77' ' ' LEU . 3.6 tt -98.76 100.67 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.424 ' HB2' ' C ' ' A' ' 75' ' ' GLY . . . -85.11 92.25 8.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.596 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -67.82 160.64 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 108.323 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 63.6 t30 -114.16 83.12 7.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.1 30.45 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.631 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . . . -135.72 8.24 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -55.68 -56.39 20.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.631 ' CE1' ' HA ' ' A' ' 50' ' ' ALA . 11.2 m-85 70.18 -40.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.533 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 1.5 m -38.62 152.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.051 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.7 p -148.98 141.27 24.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 110.054 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.485 ' CG1' HD13 ' A' ' 97' ' ' LEU . 10.6 p -132.26 172.86 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m -122.31 150.08 42.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.427 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 61' ' ' GLY . . . -81.86 164.26 21.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.637 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.8 p30 -123.71 121.13 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.75 -89.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.637 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.5 m-20 -36.57 -44.99 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.554 ' O ' ' HB3' ' A' ' 57' ' ' ALA . . . 123.18 8.71 6.41 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -88.01 132.54 34.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.978 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -57.69 165.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 65' ' ' THR . 4.7 p -169.12 99.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.17 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.472 HG23 ' CG2' ' A' ' 55' ' ' VAL . 0.6 OUTLIER 179.33 171.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 110.336 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.2 p -81.66 112.68 19.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.097 . . . . 0.0 110.049 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 6.2 mt -107.06 148.91 28.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.463 HG22 ' NH2' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -84.74 106.96 16.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.522 HG13 ' CE2' ' A' ' 112' ' ' PHE . 5.2 t -81.29 64.57 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.58 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.84 144.62 11.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.567 ' HB2' ' CG ' ' A' ' 112' ' ' PHE . 5.7 ttp180 -118.81 -76.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -77.12 97.13 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.436 ' CE1' ' SG ' ' A' ' 88' ' ' CYS . 0.4 OUTLIER -150.89 -177.06 5.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 111.014 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.475 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 3.1 pm0 -110.48 117.63 34.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.424 ' C ' ' HB2' ' A' ' 46' ' ' ALA . . . -107.73 162.83 13.11 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 13.3 m-85 -115.55 133.09 56.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 0.802 . . . . 0.0 111.076 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.611 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 13.4 mt -42.45 -60.43 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.507 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.546 ' CZ2' HG11 ' A' ' 44' ' ' VAL . 90.4 m95 -88.77 -60.21 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 108.047 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.642 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 95.97 154.34 30.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.642 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER 13.43 75.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 110.377 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.7 p -123.07 143.38 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -82.23 116.16 21.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.644 ' HB3' ' CE1' ' A' ' 112' ' ' PHE . 2.5 m -63.83 -43.97 94.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.0 t -51.72 -20.87 2.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.188 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 17.9 m -87.59 -16.51 34.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.454 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.497 ' CB ' HG21 ' A' ' 40' ' ' VAL . . . -128.21 16.34 6.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 35.35 66.11 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.586 ' SG ' ' CB ' ' A' ' 38' ' ' ALA . 55.5 m -53.21 176.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 108.266 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.446 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 16.9 pm0 -141.49 154.9 45.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 95' ' ' VAL . 8.1 p -120.99 101.16 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.19 165.37 12.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.485 HD13 ' CG1' ' A' ' 55' ' ' VAL . 1.7 mm? -104.78 142.64 34.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 0.773 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -119.72 143.25 47.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.99 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.672 ' HD2' ' HB2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.672 ' HB2' ' HD2' ' A' ' 99' ' ' ASP . 2.4 m-20 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.96 147.84 50.29 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -160.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 59.93 -173.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.214 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 5' ' ' ALA . . . 176.61 -53.37 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 5' ' ' ALA . 1.5 p -179.96 120.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.787 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.16 112.72 23.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.497 ' CD1' HG23 ' A' ' 7' ' ' VAL . 5.0 mt -114.14 153.47 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.613 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -98.47 123.27 42.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.963 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.644 ' CE1' ' HB3' ' A' ' 88' ' ' CYS . 5.9 m-85 -90.64 126.84 36.09 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.477 ' H ' ' N ' ' A' ' 13' ' ' LEU . 1.2 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.437 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -103.06 161.73 13.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.437 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 19.2 p -150.4 158.56 44.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.622 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 2.2 t -95.05 131.5 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.513 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.39 -57.11 1.18 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.07 -160.3 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.448 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 89.4 p -155.3 26.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.986 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.532 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -165.58 56.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -43.19 -25.08 0.37 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.547 1.154 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.58 ' HA ' ' N ' ' A' ' 113' ' ' ASN . 1.1 mt 41.45 -88.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.617 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -33.86 118.6 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.144 . . . . 0.0 110.043 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.509 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 5.6 p-10 -60.56 110.04 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 109.367 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.2 30.07 15.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.493 ' CG2' ' CA ' ' A' ' 12' ' ' GLY . 6.2 t -70.38 94.74 0.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 110.429 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.7 t -77.29 94.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.622 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 16.7 m -111.32 179.28 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' O ' HG22 ' A' ' 21' ' ' VAL . 74.4 mttt -69.49 140.4 53.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 75.6 t -142.31 140.49 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -141.27 155.69 45.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.614 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 107.83 176.12 22.3 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 153.94 -161.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -62.94 -2.26 4.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.506 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.1 tp 49.61 62.14 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.508 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 4.5 tp60 -92.57 -102.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.427 ' N ' ' CG ' ' A' ' 27' ' ' GLN . . . -176.0 95.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.54 19.79 3.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.489 ' CB ' ' HG2' ' A' ' 27' ' ' GLN . 1.0 OUTLIER -81.34 158.48 24.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 110.393 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.69 148.43 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.576 ' CE2' ' HB1' ' A' ' 24' ' ' ALA . 2.1 m-85 -143.83 80.23 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.088 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 98' ' ' SER . 0.4 OUTLIER -51.15 115.64 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.526 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 45.7 t -58.7 146.55 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -128.56 -166.45 11.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.579 1.174 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 170.04 113.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 4.7 m -128.26 170.79 12.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 108.289 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.492 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -139.73 125.89 19.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.43 125.43 40.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 108.018 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.475 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 39.9 t -109.44 -28.28 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.426 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER 179.33 175.16 0.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.1 m -56.68 89.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.54 -11.8 39.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 2.3 t -95.1 42.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -99.18 104.77 16.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.398 1.061 . . . . 0.0 109.363 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.719 ' CB ' ' CD1' ' A' ' 83' ' ' TRP . . . -94.77 116.17 28.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.444 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 0.5 OUTLIER -84.83 163.11 19.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 108.276 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.659 ' ND2' ' CD1' ' A' ' 73' ' ' PHE . 8.7 t-20 -113.73 88.26 13.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.595 1.184 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.1 Cg_endo -74.97 38.17 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -134.1 3.76 3.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.6 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -43.33 -52.08 6.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 16.8 m-85 62.8 -57.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.6 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.3 m -30.63 146.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.951 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.0 p -141.98 136.81 30.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 56' ' ' THR . 2.6 p -126.09 165.92 23.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.453 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.1 m -123.38 151.2 42.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -80.91 170.2 16.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.9 p30 -129.84 120.09 24.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.33 -89.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.621 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.8 m-20 -36.24 -46.02 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.508 ' HA3' ' C ' ' A' ' 27' ' ' GLN . . . 127.11 2.08 6.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.96 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.469 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 34.1 t -79.74 136.82 36.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.756 . . . . 0.0 110.034 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -76.26 154.23 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.434 ' O ' ' HB ' ' A' ' 65' ' ' THR . 39.2 m -155.89 107.38 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.485 ' CG2' ' CD1' ' A' ' 67' ' ' LEU . 1.6 t -178.18 178.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.4 m -93.14 122.8 35.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.516 ' CD2' HG23 ' A' ' 34' ' ' VAL . 6.8 mp -114.57 147.05 40.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.363 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.559 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 4.5 t -89.19 116.46 27.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.611 HG11 ' CE2' ' A' ' 112' ' ' PHE . 1.5 t -87.15 60.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.559 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.3 OUTLIER -38.72 133.34 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.243 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.509 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 1.6 ttp180 -89.14 -58.87 2.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 85.0 p -120.81 141.64 50.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.055 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.659 ' CD1' ' ND2' ' A' ' 48' ' ' ASN . 12.4 p90 -175.75 -173.81 0.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -109.49 142.22 40.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 83' ' ' TRP . . . -147.74 -160.83 9.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.64 ' CZ ' ' CB ' ' A' ' 82' ' ' ARG . 1.4 m-85 -145.75 141.21 27.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 12.4 mt -63.94 -51.47 64.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.0 t80 . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.64 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.719 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -94.13 -155.56 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 107.98 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -168.57 170.95 42.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.467 ' HA ' ' C ' ' A' ' 73' ' ' PHE . 22.8 m -62.79 75.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.377 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 84' ' ' GLY . 6.0 p -110.02 166.76 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.232 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.95 118.99 20.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -77.31 -33.2 55.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 108.283 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.511 ' CB ' ' C ' ' A' ' 113' ' ' ASN . 1.2 t -50.37 -29.94 11.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -25.32 64.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -119.27 14.97 13.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 36.84 72.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.646 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 19.1 p -55.77 -169.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 108.284 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.499 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 0.7 OUTLIER -148.38 154.83 40.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.46 HG11 ' CG2' ' A' ' 7' ' ' VAL . 8.5 p -131.76 128.9 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -148.5 -177.62 22.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.57 1.169 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.57 HD22 ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -79.84 146.76 32.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 0.721 . . . . 0.0 109.318 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -137.7 122.12 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.589 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.589 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 96.88 170.59 33.98 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.34 4.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -166.99 34.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.25 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.414 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -80.96 176.91 54.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.499 ' N ' ' HB2' ' A' ' 94' ' ' GLN . 7.3 p -105.39 121.79 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.6 113.0 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.465 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -116.89 149.0 19.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.442 ' N ' HG21 ' A' ' 110' ' ' ILE . 6.3 m -89.1 92.8 9.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.646 ' CE1' ' SG ' ' A' ' 93' ' ' CYS . 37.7 m-85 -87.09 165.66 15.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.58 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 12.0 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.472 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -101.31 161.98 13.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.472 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 1.7 p -151.94 161.03 43.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.53 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.5 t -117.7 139.9 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.368 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.512 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -37.2 -57.27 1.38 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.452 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.53 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.97 -165.49 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.44 18.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.509 ' CA ' ' O ' ' A' ' 111' ' ' SER . 59.9 p -152.5 114.11 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.036 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.657 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -78.19 6.31 50.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.657 ' C ' ' O ' ' A' ' 12' ' ' GLY . 12.5 mt -15.75 -58.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.6 OUTLIER -72.61 101.35 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.414 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 11.9 p-10 -49.55 101.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 100.49 34.38 4.76 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -65.2 86.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 8.5 t -77.59 96.78 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.467 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 33.4 m -125.41 -176.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 65' ' ' THR . 73.1 mttt -72.03 148.89 45.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.358 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.523 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 3.4 t -139.1 138.71 41.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.23 149.61 49.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.668 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 103.81 -176.57 24.0 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.668 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 149.32 -157.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 0.747 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.35 -1.45 4.37 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.55 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.5 OUTLIER 44.46 66.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.588 0.816 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.482 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 6.1 tp60 -87.71 -105.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 27' ' ' GLN . . . 172.57 77.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.52 52.01 6.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.42 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -123.56 164.21 19.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 110.401 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.42 ' N ' ' CG2' ' A' ' 30' ' ' THR . . . -78.48 149.3 33.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.407 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 2.9 m-85 -140.08 75.66 1.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.475 ' HA ' ' CB ' ' A' ' 54' ' ' SER . 0.3 OUTLIER -62.7 115.3 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.234 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.57 ' CG2' ' CB ' ' A' ' 53' ' ' SER . 73.5 t -39.47 150.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.597 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -130.51 -86.19 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.597 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER 75.28 116.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.575 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 48.3 m -128.01 177.49 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -122.37 137.83 54.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.224 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.533 ' C ' ' CD1' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -102.2 110.8 22.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 58.0 t -90.23 -114.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.42 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 1.2 t0 -92.37 36.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 69.72 -58.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.53 -9.8 51.86 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 77' ' ' LEU . 22.1 t -127.62 123.91 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tt -126.59 121.46 32.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -104.14 92.74 4.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.575 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -66.26 165.18 14.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 108.31 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.613 ' ND2' ' CG ' ' A' ' 73' ' ' PHE . 11.0 t-20 -114.64 85.86 11.93 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.97 39.57 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.439 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -134.82 2.85 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.454 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -41.96 -55.15 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 68.07 -49.61 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.57 ' CB ' ' CG2' ' A' ' 34' ' ' VAL . 30.3 m -50.88 158.59 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.986 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.475 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 96.7 p -166.33 138.87 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.513 ' CG1' HG22 ' A' ' 65' ' ' THR . 1.5 p -137.88 -155.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.495 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -143.21 168.93 18.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.496 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.495 ' N ' ' CG2' ' A' ' 56' ' ' THR . . . -72.35 -170.43 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.688 ' O ' ' N ' ' A' ' 60' ' ' ASN . 57.1 p30 -145.85 134.58 22.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.685 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -12.3 80.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.688 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.4 t30 151.29 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.55 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 122.22 -11.47 9.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.126 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -76.48 139.2 40.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.041 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.1 158.23 21.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.48 ' O ' ' HB ' ' A' ' 65' ' ' THR . 4.6 m -159.21 126.71 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.583 ' OG1' ' N ' ' A' ' 66' ' ' SER . 1.0 OUTLIER 171.35 -115.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.447 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.583 ' N ' ' OG1' ' A' ' 65' ' ' THR . 74.2 m -161.81 137.85 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 110.0 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.523 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 7.0 mp -122.74 163.02 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 t -100.22 97.73 8.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.649 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 3.7 t -72.13 65.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.561 ' HG3' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -64.24 124.94 23.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.57 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 14.5 ttp180 -79.2 -73.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.185 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.4 ' N ' ' HG2' ' A' ' 71' ' ' ARG . 30.5 t -90.36 118.48 29.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.04 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.613 ' CG ' ' ND2' ' A' ' 48' ' ' ASN . 22.1 p90 -156.01 -177.87 6.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.6 OUTLIER -89.66 104.19 16.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.12 149.93 25.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.512 ' CZ ' ' HD2' ' A' ' 82' ' ' ARG . 20.1 m-85 -129.4 126.64 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.581 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 1.6 mm? -55.06 -44.95 75.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.581 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.6 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 111.051 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.512 ' HD2' ' CZ ' ' A' ' 76' ' ' PHE . 5.0 ttt180 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.402 ' HA ' ' CE3' ' A' ' 83' ' ' TRP . 8.9 m95 -68.17 -74.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.594 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 87.84 145.02 9.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER 20.09 80.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 110.339 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -144.18 144.64 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.77 109.19 9.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -68.15 -30.22 69.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 108.271 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -50.69 -22.72 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.429 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.44 -22.59 57.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 92' ' ' ALA . . . -127.69 14.45 6.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 39.12 90.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.652 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 1.7 p -69.65 -173.95 0.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 108.353 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.45 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 19.2 pm0 -142.38 142.98 32.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.231 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.423 HG21 ' NE2' ' A' ' 36' ' ' GLN . 83.8 t -107.46 133.93 50.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -159.46 168.03 35.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.583 1.177 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 32' ' ' TYR . 2.7 mm? -88.04 144.83 26.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 0.734 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -119.95 113.15 20.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.423 ' OD1' ' CB ' ' A' ' 103' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.423 ' CB ' ' OD1' ' A' ' 99' ' ' ASP . 1.3 m120 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.464 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 47.03 60.72 4.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.5 Cg_endo -74.87 -164.89 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.467 1.772 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.37 60.82 0.16 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 110.27 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -51.88 -100.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.492 ' CG1' HG21 ' A' ' 7' ' ' VAL . 12.9 p -159.71 123.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 0.736 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.44 109.77 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.574 ' CG2' ' N ' ' A' ' 12' ' ' GLY . 11.1 mt -109.5 144.54 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.509 ' O ' ' CA ' ' A' ' 11' ' ' SER . 33.5 m -86.81 97.93 10.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.652 ' CE1' ' SG ' ' A' ' 93' ' ' CYS . 49.5 m-85 -89.02 19.73 4.01 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.576 1.172 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.217 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.499 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -103.97 152.9 21.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.499 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 2.5 p -153.08 162.61 41.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.535 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 4.6 t -110.99 133.79 55.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.609 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.76 -61.86 0.6 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.609 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.99 -90.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.435 1.756 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 1.4 p 89.64 13.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.6 p -161.76 136.26 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.0 36.2 60.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.506 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 12.9 mt -94.34 -147.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.488 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -158.87 167.51 29.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.998 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.449 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 29.1 t0 -62.57 96.54 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.491 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 97.16 33.23 6.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.506 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 3.6 m -76.48 88.26 3.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.9 t -71.34 91.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -111.08 166.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -61.57 133.42 55.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.532 HG23 ' CG1' ' A' ' 7' ' ' VAL . 84.4 t -137.52 141.74 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.425 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -141.87 156.34 45.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.651 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 108.85 178.41 21.59 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 111.048 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.651 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 149.39 -162.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.02 -7.2 2.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 52.1 68.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.588 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 1.4 mp0 -88.35 -95.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.588 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 156.51 73.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.81 67.05 1.61 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.58 1.175 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.408 HG22 ' CE2' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -151.92 156.51 40.23 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.465 0.744 . . . . 0.0 110.324 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.92 154.79 38.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.471 ' OH ' ' HB2' ' A' ' 27' ' ' GLN . 9.9 m-85 -148.94 80.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -50.77 126.41 15.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.487 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 50.8 t -71.14 156.09 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -131.62 -168.31 12.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.3 111.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.294 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.523 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 6.8 m -118.07 179.33 4.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.353 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.605 ' CB ' ' SG ' ' A' ' 93' ' ' CYS . . . -135.05 160.93 36.77 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -99.29 125.19 44.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 107.998 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.423 HG12 ' CE3' ' A' ' 83' ' ' TRP . 2.4 t -113.46 -134.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -52.33 -175.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.4 m -76.22 89.11 3.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.417 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.25 -6.06 28.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.723 ' CG1' ' CZ2' ' A' ' 83' ' ' TRP . 43.4 t -91.01 127.94 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -123.47 137.29 54.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.416 ' N ' HD12 ' A' ' 45' ' ' LEU . . . -120.05 100.09 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.523 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.3 m -79.05 153.18 30.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.595 1.184 . . . . 0.0 108.323 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.478 ' C ' ' H ' ' A' ' 50' ' ' ALA . 63.7 t30 -110.74 93.8 17.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.15 36.17 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -131.29 2.33 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -43.09 -51.08 6.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.475 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 70.21 -54.1 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 111.07 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.487 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 5.5 m -32.89 148.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.7 p -151.86 141.99 22.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 110.001 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.545 ' CG1' HD13 ' A' ' 97' ' ' LEU . 2.1 p -136.72 168.76 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.51 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.2 m -122.4 148.63 44.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.415 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 61' ' ' GLY . . . -60.89 175.06 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.696 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.6 p30 -134.67 135.6 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.696 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -8.42 80.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.646 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.5 t30 149.41 -39.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.498 ' HA3' ' N ' ' A' ' 27' ' ' GLN . . . 121.7 -2.0 11.07 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.592 1.182 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.522 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -84.23 125.35 32.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 110.059 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -63.61 161.64 14.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' A' ' 65' ' ' THR . 99.8 p -163.65 109.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 66' ' ' SER . 0.5 OUTLIER 177.12 170.86 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.475 ' N ' HG23 ' A' ' 65' ' ' THR . 87.2 p -84.46 115.92 22.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 9.2 mt -104.86 137.58 42.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.381 1.05 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.497 HG21 ' CZ ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -76.73 107.66 9.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.502 HG13 ' CE2' ' A' ' 112' ' ' PHE . 10.0 t -77.59 61.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.568 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -47.02 142.14 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.616 ' HB2' ' CG ' ' A' ' 112' ' ' PHE . 8.2 ttm180 -119.54 -79.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 20.7 p -71.64 118.15 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.656 ' CG ' ' N ' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -178.85 -165.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.656 ' N ' ' CG ' ' A' ' 73' ' ' PHE . 11.3 pt-20 -128.84 120.11 25.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.436 ' CA ' ' CZ ' ' A' ' 73' ' ' PHE . . . -99.36 146.3 17.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.128 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.501 ' CE2' ' HD3' ' A' ' 82' ' ' ARG . 10.1 m-85 -111.13 136.37 50.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.76 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 15.2 mt -47.49 -66.83 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.231 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.486 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HD3' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.723 ' CZ2' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -154.08 -85.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 108.007 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 83' ' ' TRP . . . 26.47 -96.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.584 ' H ' ' HA ' ' A' ' 74' ' ' GLU . 1.2 t 35.65 36.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 72' ' ' SER . 0.3 OUTLIER -167.58 -175.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.489 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.2 OUTLIER -74.13 117.41 15.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.611 ' O ' ' N ' ' A' ' 92' ' ' ALA . 1.8 m -57.95 -33.64 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 108.291 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.44 HG22 ' CB ' ' A' ' 87' ' ' ASP . 9.5 t -46.6 -22.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -79.75 -22.51 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -118.73 -6.67 10.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.611 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 58.58 64.83 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.605 ' SG ' ' CB ' ' A' ' 38' ' ' ALA . 6.0 m -49.48 176.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 108.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.663 ' N ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -140.04 147.41 40.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.255 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.494 ' CG1' HD11 ' A' ' 110' ' ' ILE . 7.6 p -125.5 112.43 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -121.03 -179.21 16.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.366 1.041 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.545 HD13 ' CG1' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -100.15 152.2 20.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -132.69 116.34 16.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.241 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 143.81 -173.99 24.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.96 3.68 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.55 1.816 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.24 36.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.82 174.88 48.14 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.568 1.168 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 8.2 p -101.99 116.65 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 109.194 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.37 108.69 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.501 ' CG2' HG12 ' A' ' 69' ' ' VAL . 84.1 mt -109.32 148.41 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.7 m -106.96 106.21 16.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.616 ' CG ' ' HB2' ' A' ' 71' ' ' ARG . 1.6 m-85 -80.72 121.4 25.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' LEU . 35.8 t30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.425 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.434 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -73.61 143.65 46.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.443 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 5.8 p -149.48 151.95 34.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.589 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.2 t -123.41 147.3 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.515 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -41.77 -57.57 3.91 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.589 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.89 -151.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.78 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.403 ' H ' ' HB2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER 171.51 -11.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.047 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.518 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 95.4 p -179.18 153.91 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.75 42.86 99.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.018 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.51 ' CD1' HG13 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -105.07 -169.87 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 0.738 . . . . 0.0 109.283 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.95 160.04 20.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.585 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 6.0 p-10 -62.04 119.8 9.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.471 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 76.69 31.78 52.7 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.157 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 69' ' ' VAL . 1.2 m -57.3 85.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.5 t -75.09 88.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.495 ' CG2' ' HD3' ' A' ' 9' ' ' PRO . 34.4 m -119.26 -179.84 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 145.56 50.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.487 ' CG2' HG13 ' A' ' 7' ' ' VAL . 54.3 t -142.4 140.51 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.456 ' N ' HG11 ' A' ' 21' ' ' VAL . . . -140.52 161.19 38.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.689 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 95.01 -175.73 33.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 111.056 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.689 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 147.09 -157.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 0.801 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.07 -3.29 4.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.52 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 46.71 60.1 3.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.219 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.461 ' N ' ' HA3' ' A' ' 61' ' ' GLY . 10.8 tt0 -79.95 -97.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.231 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 166.72 100.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' HB1' ' A' ' 57' ' ' ALA . . . 48.55 33.47 12.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.4 m -108.94 159.68 16.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 0.73 . . . . 0.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.59 148.35 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 3.4 m-85 -146.21 76.82 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.07 129.66 38.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.583 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 33.6 t -67.21 149.57 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -135.84 177.48 19.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -172.56 107.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.37 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.535 ' O ' ' HB3' ' A' ' 93' ' ' CYS . 5.5 m -118.49 169.53 9.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.252 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -131.71 147.63 52.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.6 ' CE3' ' O ' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -94.57 121.44 36.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.014 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 89.2 t -92.7 -111.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' GLY . 1.9 t0 -90.36 41.4 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.57 ' HA ' ' CD1' ' A' ' 39' ' ' TRP . 0.9 OUTLIER 67.08 -64.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -69.39 -8.18 58.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.9 t -121.97 129.82 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.443 0.731 . . . . 0.0 109.347 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.44 132.8 47.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.21 102.22 10.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.492 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -80.05 158.0 26.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 108.316 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 31.7 t30 -112.3 91.45 16.41 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -75.0 38.38 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.562 1.822 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.96 3.19 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.488 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -41.13 -49.35 3.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.31 -58.23 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.583 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 1.9 m -34.49 150.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 t -149.33 144.66 26.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 56' ' ' THR . 7.7 p -139.05 169.87 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.433 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.4 m -121.47 160.32 24.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.366 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -89.33 148.2 23.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.2 p30 -112.38 119.62 38.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 37.19 -92.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.0 m-20 -43.63 -43.31 5.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.52 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 125.42 6.38 6.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.506 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.5 m -73.28 128.31 35.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.948 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -72.1 156.92 38.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.423 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 78.2 p -155.01 107.21 2.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.079 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 66' ' ' SER . 0.6 OUTLIER -179.79 172.68 1.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.373 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 15.7 m -90.38 132.23 35.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.957 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.484 ' CD1' HG23 ' A' ' 34' ' ' VAL . 6.9 mp -119.68 143.34 47.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.56 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -92.03 97.7 11.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.415 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.627 HG13 ' CE2' ' A' ' 112' ' ' PHE . 2.3 t -67.69 67.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.56 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -54.79 119.1 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 110.33 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.585 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 1.2 ttt180 -80.69 -77.28 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.2 p -79.86 99.07 7.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -143.24 154.92 44.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' HE2' ' NH2' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -79.73 121.38 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.15 151.08 17.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.47 ' CE2' ' C ' ' A' ' 78' ' ' PHE . 29.3 t80 -132.9 140.64 47.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.634 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -43.07 -62.65 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.428 ' NH2' ' HE2' ' A' ' 74' ' ' GLU . 6.1 ttp180 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -100.27 -69.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.614 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 92.72 165.0 38.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.614 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER 18.07 78.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.735 . . . . 0.0 110.426 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 54.0 t -114.92 127.01 72.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.41 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -79.97 106.66 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.359 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.731 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . 1.7 m -53.25 -23.16 8.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 108.228 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.509 ' CG2' ' HD2' ' A' ' 71' ' ' ARG . 16.3 p -77.72 5.86 8.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.1 m -119.69 -15.23 8.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.55 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -141.3 13.26 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 27.97 72.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.535 ' HB3' ' O ' ' A' ' 37' ' ' CYS . 4.1 m -52.15 -177.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.297 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.473 ' CG ' ' HA3' ' A' ' 107' ' ' GLY . 14.6 pm0 -140.48 149.75 42.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.497 ' CG1' HG21 ' A' ' 7' ' ' VAL . 10.9 p -123.88 117.02 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -131.48 167.59 22.52 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.411 ' CG ' ' HB1' ' A' ' 24' ' ' ALA . 2.0 mm? -88.86 143.72 26.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 0.748 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.408 ' OG ' ' HB3' ' A' ' 103' ' ' ASN . 0.2 OUTLIER -122.07 130.42 53.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 99' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 138.83 -161.67 25.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.469 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.05 111.33 3.3 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.427 1.751 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.3 OUTLIER 169.45 42.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 94' ' ' GLN . . . -76.01 174.1 53.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.46 ' N ' ' HB2' ' A' ' 94' ' ' GLN . 87.4 t -93.43 103.28 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.94 101.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.488 ' CG2' HD21 ' A' ' 13' ' ' LEU . 54.8 mt -111.73 147.98 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.518 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -99.22 108.86 21.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.731 ' CD1' ' HB3' ' A' ' 88' ' ' CYS . 14.4 m-85 -90.75 132.7 35.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 112' ' ' PHE . 3.9 t30 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.416 ' O ' ' CG2' ' A' ' 108' ' ' VAL . . . -94.37 170.48 9.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.359 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.497 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 68.3 p -148.25 152.88 37.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.558 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 22.5 t -100.99 124.48 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.756 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -31.35 -70.33 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.147 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.756 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.04 -90.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 3.9 p 92.43 20.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.2 p -158.68 141.01 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.994 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.55 42.26 93.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.1 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.64 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 6.6 mt -82.65 -146.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 0.74 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.28 166.64 16.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.593 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 18.5 p-10 -63.3 97.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.481 ' H ' ' HA ' ' A' ' 70' ' ' ARG . . . 97.33 35.78 5.12 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.64 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -71.84 89.04 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 0.775 . . . . 0.0 110.409 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 10.8 t -79.87 87.11 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.411 ' CG2' HG12 ' A' ' 7' ' ' VAL . 19.6 m -107.3 -178.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -85.0 133.79 34.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 6' ' ' THR . 41.1 t -129.1 135.69 61.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.46 155.67 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.624 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 103.79 175.25 25.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.624 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 152.45 -158.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 0.806 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.413 ' H ' ' HB3' ' A' ' 24' ' ' ALA . . . -61.92 -3.12 4.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.572 1.17 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.536 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.2 tp 51.03 59.62 4.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.553 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 16.0 mm-40 -85.4 -98.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 175.1 96.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.215 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.53 21.21 6.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 31' ' ' ALA . 18.8 m -84.58 163.79 19.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 0.753 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.426 ' N ' HG23 ' A' ' 30' ' ' THR . . . -82.56 146.22 29.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.668 ' CD1' ' CD1' ' A' ' 97' ' ' LEU . 4.4 m-85 -142.78 77.42 1.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -43.22 118.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.499 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 54.1 t -59.19 138.81 19.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -134.22 148.19 19.37 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.609 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 1.1 mt-30 -141.23 121.41 13.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.609 0.829 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 m -127.72 178.48 6.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 108.257 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.517 ' CB ' ' SG ' ' A' ' 88' ' ' CYS . . . -149.3 136.38 19.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -86.19 127.72 34.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 107.994 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 41' ' ' ASP . 13.1 t -103.79 -123.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -56.21 -161.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.8 m -67.46 -51.13 55.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.46 37.12 3.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.438 1.086 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.506 ' CG1' HD11 ' A' ' 77' ' ' LEU . 11.6 t -130.71 119.28 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tt -133.97 123.04 23.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -105.53 114.4 28.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.409 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 1.3 m -87.27 165.44 15.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 108.267 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 21.7 t-20 -115.8 84.37 12.84 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.08 42.62 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.96 1.03 3.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.464 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -48.31 -58.45 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.452 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 69.4 -50.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.499 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 1.0 OUTLIER -35.0 153.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.4 p -141.38 130.26 23.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.989 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.491 ' CG1' ' HB1' ' A' ' 63' ' ' ALA . 1.2 p -112.32 154.26 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -113.92 149.16 35.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.385 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -83.87 166.72 17.67 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.603 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.3 p30 -125.91 120.36 30.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.521 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.55 -90.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.603 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.8 m-20 -35.99 -45.8 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.536 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.87 2.43 6.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.436 1.085 . . . . 0.0 110.973 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 39.8 m -78.88 133.11 36.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -66.27 164.26 16.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.434 ' O ' ' HB ' ' A' ' 65' ' ' THR . 35.5 p -172.79 107.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.443 HG22 ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER 178.07 -176.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.417 ' C ' HD13 ' A' ' 67' ' ' LEU . 25.5 p -92.48 128.35 38.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.494 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 2.4 mp -123.27 137.83 54.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.403 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 1.4 t -87.84 89.8 8.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.34 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.614 HG13 ' CE1' ' A' ' 112' ' ' PHE . 8.6 t -74.77 68.5 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.609 ' HG2' ' OE1' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -42.18 158.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.784 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 4.0 ttt180 -103.01 -62.65 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 53.0 p -111.44 144.45 40.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.942 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.6 ' CE2' ' SG ' ' A' ' 88' ' ' CYS . 49.2 p90 -177.18 -168.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.605 1.191 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.409 ' HA ' ' C ' ' A' ' 84' ' ' GLY . 0.6 OUTLIER -100.15 114.12 27.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 110.271 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.35 158.63 17.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -141.0 142.55 34.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 0.76 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.609 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -69.53 -46.32 66.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.609 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.7 t80 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.0 ptt85 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.467 ' HA ' ' CE3' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -71.28 -80.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.013 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 129.96 165.47 11.63 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.51 ' O ' ' CG2' ' A' ' 85' ' ' THR . 1.1 m -67.31 68.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 110.466 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' GLY . 6.5 p -128.54 171.32 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.464 ' HA ' ' CB ' ' A' ' 72' ' ' SER . 11.3 m-20 -57.65 145.29 34.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.6 ' SG ' ' CE2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -103.57 -30.39 10.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 108.332 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.496 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -49.56 -33.76 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.43 ' N ' HG22 ' A' ' 89' ' ' THR . 1.0 OUTLIER -68.64 -23.7 64.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -107.05 24.28 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 38.14 59.19 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.11 -179.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 108.223 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 9.0 pm0 -162.12 156.14 21.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.518 ' CG2' ' HG3' ' A' ' 36' ' ' GLN . 7.5 p -132.3 112.74 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.185 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.428 ' CA ' ' HG2' ' A' ' 106' ' ' GLU . . . -128.88 -169.12 12.53 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.561 1.163 . . . . 0.0 110.934 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.668 ' CD1' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.54 147.94 30.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -146.0 97.92 3.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 110.039 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.26 -162.93 26.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.425 1.078 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.52 35.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.444 1.76 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.428 ' HG2' ' CA ' ' A' ' 96' ' ' GLY . 59.5 mp0 -96.08 -89.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.335 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 125.2 -2.7 8.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 94' ' ' GLN . 75.4 t -75.72 68.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.1 113.06 3.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.526 HD13 ' CG2' ' A' ' 7' ' ' VAL . 66.8 mt -114.51 158.37 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.04 96.31 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.071 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.784 ' CD2' ' HA ' ' A' ' 71' ' ' ARG . 5.8 m-30 -74.76 123.68 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.489 ' C ' ' N ' ' A' ' 24' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.479 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . -90.5 125.4 35.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.494 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 2.9 p -135.79 160.3 38.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.516 HG23 ' CG2' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -104.99 127.7 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.351 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.621 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.03 -62.8 0.35 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.402 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.621 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.0 178.98 6.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.53 1.805 . . . . 0.0 110.96 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.466 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 21.4 t -177.43 27.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.025 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.53 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 7.3 p 172.14 160.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.22 28.33 58.68 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 11' ' ' SER . 7.7 mt -90.95 -145.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.444 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.9 t -158.2 159.66 36.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.529 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 6.5 p-10 -57.17 103.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.447 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 94.3 34.61 6.32 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.505 1.128 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.471 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 1.3 m -70.45 88.23 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.74 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.0 t -73.99 83.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.516 ' CG2' HG23 ' A' ' 7' ' ' VAL . 5.4 m -97.93 -178.82 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -86.42 135.26 33.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 6' ' ' THR . 10.2 p -124.92 134.43 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -135.95 149.78 49.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.644 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 106.38 -179.2 22.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.644 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 150.8 -158.83 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.566 0.803 . . . . 0.0 109.407 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.417 ' H ' ' HB2' ' A' ' 24' ' ' ALA . . . -65.32 -2.11 9.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.561 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.8 tp 46.18 69.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.285 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.457 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 6.4 tp60 -97.56 -82.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 165.22 84.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.64 12.47 19.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.607 1.192 . . . . 0.0 111.061 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.43 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 87.4 m -72.8 152.57 41.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 0.743 . . . . 0.0 110.423 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.506 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -63.0 147.67 49.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.506 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 3.1 m-30 -146.13 77.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.4 OUTLIER -47.37 131.65 13.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.57 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 52.8 t -75.49 151.01 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.452 1.095 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -119.24 -160.98 11.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.125 . . . . 0.0 111.057 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.616 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 5.3 tp60 155.26 99.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.535 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 55.7 m -122.49 -174.68 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -135.38 82.51 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.448 ' H ' ' NE2' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -68.8 116.82 9.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 107.987 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.482 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 24.2 t -115.4 -31.59 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.406 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -178.81 176.52 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.3 m -56.92 91.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.03 -11.15 44.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.482 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 2.4 t -97.59 40.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.478 0.752 . . . . 0.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 8.1 tt -100.48 96.62 7.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.575 ' HB3' ' CD1' ' A' ' 83' ' ' TRP . . . -73.78 89.94 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.535 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -76.34 142.54 41.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.718 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 5.4 t-20 -114.69 90.76 23.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 39.36 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -130.12 1.55 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.559 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 1.1 p30 -42.85 -51.2 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 18.3 m-30 67.2 -46.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.19 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.57 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.3 m -34.92 155.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.06 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.475 ' CA ' HG22 ' A' ' 34' ' ' VAL . 42.7 t -153.16 146.32 24.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.547 ' CG2' HG22 ' A' ' 65' ' ' THR . 1.9 p -135.6 159.9 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.479 ' N ' HG23 ' A' ' 55' ' ' VAL . 1.1 m -123.57 141.59 51.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 110.399 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.519 ' HB3' ' HA2' ' A' ' 61' ' ' GLY . . . -66.38 177.24 1.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.226 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 60' ' ' ASN . 11.3 p30 -136.0 122.73 21.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.19 -89.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.633 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -39.11 -47.13 1.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.588 1.18 . . . . 0.0 109.337 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.561 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 131.97 -3.98 5.31 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.512 1.133 . . . . 0.0 111.061 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.469 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -73.67 139.8 45.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 0.735 . . . . 0.0 109.985 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -80.16 156.99 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 65' ' ' THR . 1.4 m -159.58 117.3 2.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.547 HG22 ' CG2' ' A' ' 55' ' ' VAL . 9.0 t -177.09 -142.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.1 m -136.26 126.21 25.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.5 ' CD2' HG11 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -101.46 135.06 43.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.649 ' O ' ' N ' ' A' ' 70' ' ' ARG . 1.2 t -87.16 81.23 8.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.499 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.455 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 6.9 t -58.62 70.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.674 ' HG3' ' CZ ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -68.3 126.31 29.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 110.343 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.529 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 32.0 ttp180 -85.26 -72.33 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 89.5 p -59.91 95.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CE2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -135.62 169.42 17.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -128.36 72.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 83' ' ' TRP . . . -77.52 155.7 43.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 47' ' ' CYS . 50.8 p90 -97.43 136.08 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.526 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 3.0 mm? -34.8 -62.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.526 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.493 ' HD3' ' HE2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 45.6 m95 -65.55 -94.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 152.9 166.08 14.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.426 1.079 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.459 ' N ' ' HB3' ' A' ' 74' ' ' GLU . 7.0 m -64.86 70.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 0.796 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 84' ' ' GLY . 5.9 p -110.01 166.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.88 100.52 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' ALA . 1.6 m -43.46 -31.01 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 108.312 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 112' ' ' PHE . 2.7 t -48.73 -22.89 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.399 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.16 -26.03 58.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.466 ' HB1' ' CG2' ' A' ' 40' ' ' VAL . . . -126.85 16.56 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 36.94 75.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.548 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 1.3 m -50.8 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 108.346 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.448 ' NE2' ' H ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -149.14 150.1 32.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.484 ' CG2' HD13 ' A' ' 67' ' ' LEU . 1.4 t -110.32 113.29 43.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -109.5 174.16 17.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.481 HD21 ' CG1' ' A' ' 55' ' ' VAL . 2.5 tm? -112.29 154.76 25.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -136.79 136.16 38.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.025 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.514 ' HD2' ' CG ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.514 ' CG ' ' HD2' ' A' ' 99' ' ' ASP . 9.2 p-10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -87.27 -170.65 46.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -164.54 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.437 ' HG3' ' CG2' ' A' ' 108' ' ' VAL . 21.5 tp10 -121.79 -40.53 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 94.78 24.29 18.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.441 ' CG1' HD13 ' A' ' 110' ' ' ILE . 76.7 t -79.01 81.53 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.4 110.15 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.474 HG23 ' CD1' ' A' ' 13' ' ' LEU . 2.1 mt -102.86 131.01 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.53 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -85.67 106.7 17.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.955 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' A' ' 93' ' ' CYS . 37.1 m-85 -81.31 125.27 30.14 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.379 1.049 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.47 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -101.81 155.09 18.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.47 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 13.7 p -151.77 158.47 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.153 . . . . 0.0 110.367 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.546 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.8 t -99.16 134.75 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.395 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.533 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.49 -58.34 0.82 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.546 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.96 -161.52 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.438 1.757 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.99 23.35 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.522 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 66.8 p 179.88 72.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.969 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.494 ' C ' ' N ' ' A' ' 14' ' ' SER . . . -49.63 -25.43 6.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.532 ' HA ' ' N ' ' A' ' 113' ' ' ASN . 0.7 OUTLIER 45.07 20.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 0.768 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.494 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -148.03 122.6 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.52 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 20.9 t0 -59.64 100.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.521 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 99.09 31.62 6.16 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.46 1.1 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.466 HG21 ' CG1' ' A' ' 19' ' ' VAL . 1.0 OUTLIER -63.3 85.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 110.459 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 6.4 t -72.34 98.98 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.517 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 34.6 m -124.94 175.47 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -65.82 148.41 51.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 ' CG1' ' A' ' 7' ' ' VAL . 53.3 t -145.09 143.55 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -147.34 155.94 42.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.627 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 100.53 175.73 29.83 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.627 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 152.54 -161.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.12 -4.95 5.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.153 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.576 ' N ' ' HH ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER 49.93 65.26 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 0.712 . . . . 0.0 109.349 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 33.4 tp60 -85.59 -94.87 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 162.45 100.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.452 ' N ' ' HB2' ' A' ' 57' ' ' ALA . . . 49.66 34.45 20.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.445 ' CB ' ' HG2' ' A' ' 27' ' ' GLN . 4.7 m -109.97 152.12 26.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 110.438 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.91 150.06 48.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.576 ' HH ' ' N ' ' A' ' 26' ' ' LEU . 5.9 m-85 -144.83 78.11 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -53.23 121.67 7.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.488 ' CG1' ' CD2' ' A' ' 67' ' ' LEU . 99.1 t -62.09 156.33 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.402 ' HA2' ' CG ' ' A' ' 51' ' ' ASP . . . -151.62 145.73 13.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.429 1.081 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.563 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -136.73 120.82 17.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.455 0.738 . . . . 0.0 110.317 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.486 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 10.9 m -128.76 175.97 8.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.04 135.08 32.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.248 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.58 ' CH2' ' HA ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -102.64 126.99 49.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 107.983 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.412 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 93.5 t -112.36 -27.39 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.547 ' O ' ' CE2' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -160.85 -163.92 1.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.58 ' HA ' ' CH2' ' A' ' 39' ' ' TRP . 1.0 OUTLIER -78.41 -24.68 46.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.419 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.38 11.23 9.14 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.496 1.122 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG2' ' HB2' ' A' ' 41' ' ' ASP . 2.8 t -118.63 103.45 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.475 0.75 . . . . 0.0 109.245 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -137.31 97.94 3.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -88.83 107.28 18.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.1 m -84.8 157.01 21.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.298 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.591 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 57.9 t30 -112.82 91.93 19.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.643 1.214 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -75.02 39.16 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.629 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -133.19 3.24 3.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 109.369 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -44.82 -50.5 10.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 21.7 m-85 63.68 -57.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.574 ' N ' ' O ' ' A' ' 51' ' ' ASP . 3.6 m -31.13 146.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.037 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 p -144.7 141.48 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.511 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 3.9 p -128.49 -179.18 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.88 153.48 51.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 110.365 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 61' ' ' GLY . . . -84.43 145.33 28.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.5 p30 -109.32 120.63 43.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.81 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -43.38 -44.07 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.521 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 124.87 6.08 6.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.498 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.6 t -76.44 132.15 39.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 109.941 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -67.56 157.26 34.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.433 ' O ' ' HB ' ' A' ' 65' ' ' THR . 34.7 p -162.45 103.34 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.511 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.3 174.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.407 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 5.5 m -89.04 127.93 35.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.514 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 5.3 mp -114.74 142.9 45.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.558 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 9.9 t -84.12 97.88 9.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.666 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 23.2 t -69.41 65.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.558 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -58.39 132.28 53.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.52 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 2.3 ttt180 -91.03 -74.06 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.5 t -78.75 109.94 13.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.962 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 48' ' ' ASN . 5.5 p90 -148.58 162.79 38.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.425 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 1.0 OUTLIER -82.77 116.2 22.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.43 146.49 16.49 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.472 ' CG ' ' HB3' ' A' ' 82' ' ' ARG . 9.9 m-85 -125.24 125.3 43.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.06 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.644 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 4.6 mm? -40.8 -68.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.644 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.4 t80 . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.472 ' HB3' ' CG ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -84.42 -49.23 8.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.056 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 76.72 137.95 0.84 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.554 1.159 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.512 ' O ' ' CG2' ' A' ' 85' ' ' THR . 3.5 t 33.56 46.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 110.411 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.6 p -87.83 147.46 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -77.6 106.8 9.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.696 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -46.4 -31.57 2.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 108.288 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.493 ' CG2' ' HD2' ' A' ' 71' ' ' ARG . 25.6 p -62.34 -34.41 76.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.47 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 87' ' ' ASP . 3.2 m -59.82 -31.58 69.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.639 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -135.8 39.47 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.639 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 18.24 63.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 1.7 p -45.65 175.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 108.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.499 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 4.9 pm0 -139.39 159.39 42.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.48 ' CG1' HG21 ' A' ' 7' ' ' VAL . 14.6 p -128.56 119.87 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.39 -176.49 14.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.505 HD13 ' CG1' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -106.84 148.74 28.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.8 132.86 40.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.468 ' ND2' ' H ' ' A' ' 104' ' ' GLY . 10.8 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.468 ' H ' ' ND2' ' A' ' 103' ' ' ASN . . . 82.45 159.86 26.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.376 1.048 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -74.97 144.86 30.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.438 1.757 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.1 mt-10 163.55 41.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -82.02 -179.19 52.78 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.499 ' N ' ' HB2' ' A' ' 94' ' ' GLN . 8.7 p -101.67 123.85 55.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.424 0.72 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.76 116.49 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.509 HD11 ' CG2' ' A' ' 7' ' ' VAL . 35.5 mt -114.79 153.96 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -93.27 104.98 17.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.043 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.696 ' CD1' ' SG ' ' A' ' 88' ' ' CYS . 3.7 m-85 -96.51 158.89 15.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.532 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 28.4 t-20 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.479 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -106.02 167.51 9.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.479 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 17.3 p -152.59 152.85 32.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.343 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.507 HG11 ' CD1' ' A' ' 110' ' ' ILE . 5.9 p -125.09 150.49 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.485 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.78 -56.06 0.88 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.481 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.534 ' HB2' ' CD2' ' A' ' 13' ' ' LEU . 18.4 Cg_endo -75.03 -161.39 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.8 . . . . 0.0 111.001 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.524 ' O ' HG23 ' A' ' 110' ' ' ILE . 85.6 p -160.91 -29.82 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 111' ' ' SER . 14.1 p -169.44 155.04 5.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.06 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 78.93 28.48 54.33 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 111.066 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.657 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -74.35 -147.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.479 0.753 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.97 166.41 32.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.555 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 5.7 p-10 -62.72 99.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.45 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 86.97 34.7 10.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.523 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -66.41 82.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.404 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 4.9 t -67.09 101.64 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.506 HG21 ' CG ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -125.91 173.58 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 65' ' ' THR . 1.5 tttt -73.9 125.11 27.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -111.44 142.84 22.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.44 160.4 40.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.722 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 74.77 -165.31 54.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.722 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 141.5 -130.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.93 -2.92 79.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 46.61 57.27 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -72.96 -90.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 160.39 95.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . 36.25 56.79 1.15 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.95 150.64 51.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.03 146.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.371 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.531 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -149.3 81.45 1.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 98' ' ' SER . 10.8 t70 -59.14 120.14 8.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.587 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 7.1 t -55.95 153.1 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -130.51 -156.01 8.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.407 1.067 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 159.28 110.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.521 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 11.1 m -130.01 173.71 10.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.365 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -137.81 133.7 34.3 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 24.8 p-90 -101.56 116.18 32.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 108.027 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 86.1 t -83.15 -109.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.435 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 75.3 m-20 -91.49 36.72 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 69.61 -58.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -62.26 -16.58 54.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.7 t -125.1 123.02 64.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.374 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 tt -132.7 118.0 18.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.409 ' HB3' ' C ' ' A' ' 75' ' ' GLY . . . -103.88 113.36 26.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.449 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -87.35 161.4 17.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 108.281 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.552 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 5.4 t-20 -114.45 89.51 18.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.07 41.84 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.545 1.813 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.35 4.83 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.228 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -37.49 -49.65 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.02 -60.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.587 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.0 m -35.81 153.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.438 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 11.2 p -157.52 142.09 16.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.004 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.599 ' CG2' ' CG2' ' A' ' 65' ' ' THR . 1.2 p -144.84 -157.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.477 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 1.3 m -144.98 163.05 35.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.55 ' HB1' ' O ' ' A' ' 61' ' ' GLY . . . -86.76 170.39 11.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.646 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.1 p30 -124.63 118.84 27.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.526 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.83 -89.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.646 ' N ' ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -36.68 -46.48 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.553 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 124.91 5.85 6.7 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.524 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -85.67 134.08 34.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.971 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -66.8 162.79 20.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' A' ' 65' ' ' THR . 78.6 p -162.48 105.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.599 ' CG2' ' CG2' ' A' ' 55' ' ' VAL . 6.6 t -177.86 -137.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.369 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.509 ' N ' ' OG1' ' A' ' 65' ' ' THR . 18.0 p -138.75 129.01 25.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.506 ' CD2' HG22 ' A' ' 34' ' ' VAL . 5.6 mp -118.96 146.45 44.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.61 ' CG2' ' CZ ' ' A' ' 70' ' ' ARG . 6.5 t -81.22 100.76 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.318 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.67 HG11 ' CD2' ' A' ' 112' ' ' PHE . 99.4 t -67.56 67.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.61 ' CZ ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -63.49 130.17 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.555 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 5.2 ttp180 -102.32 -74.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.4 p -75.92 90.1 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.034 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.547 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 2.9 p90 -135.67 157.95 45.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -81.89 105.99 13.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.341 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.409 ' C ' ' HB3' ' A' ' 46' ' ' ALA . . . -87.13 150.13 22.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 2.4 m-85 -133.43 137.3 45.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.606 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 1.1 mm? -57.8 -46.73 84.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.606 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.0 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 111.041 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.416 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.424 ' NE1' HG21 ' A' ' 40' ' ' VAL . 20.1 m95 -80.58 -79.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.623 1.202 . . . . 0.0 108.03 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.638 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 102.5 150.82 23.11 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.638 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER 15.93 75.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 110.404 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.7 p -125.16 147.65 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.36 119.62 25.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.607 ' SG ' ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -67.62 -36.79 81.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 108.25 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.539 ' OG1' ' CA ' ' A' ' 113' ' ' ASN . 7.5 t -60.22 -24.4 64.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.4 m -77.7 -24.41 49.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.522 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -125.92 25.16 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 31.27 61.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 1.4 p -53.65 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 108.313 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.446 ' HB2' ' C ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -137.0 147.56 46.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.344 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.518 ' CG2' ' HG2' ' A' ' 36' ' ' GLN . 12.9 p -137.74 104.94 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.51 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -136.51 -161.35 9.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.523 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -93.62 158.14 15.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -148.97 145.31 27.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.683 ' HD2' ' ND2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.683 ' ND2' ' HD2' ' A' ' 99' ' ' ASP . 6.4 p-10 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -30.81 105.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -74.99 -155.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.57 1.826 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.588 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 5.2 tt0 93.87 54.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.51 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . -50.31 -91.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 95' ' ' VAL . 12.2 p -160.85 105.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.15 106.78 3.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.579 HG23 ' N ' ' A' ' 111' ' ' SER . 10.5 mt -128.68 151.27 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.579 ' N ' HG23 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -77.29 103.03 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.67 ' CD2' HG11 ' A' ' 69' ' ' VAL . 3.0 m-30 -80.19 5.83 13.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.539 ' CA ' ' OG1' ' A' ' 89' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -109.04 141.5 41.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 5.6 p -146.43 161.05 41.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.458 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.52 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 1.3 p -104.16 169.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.598 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -55.32 -61.77 5.49 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.434 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.598 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.88 167.56 26.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.511 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 43.1 t -132.83 -0.33 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.005 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.437 ' C ' HD22 ' A' ' 13' ' ' LEU . 89.7 p 177.87 149.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.37 28.65 32.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.598 HD22 ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -72.66 -145.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.31 171.98 18.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.567 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 19.6 p-10 -65.31 99.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.448 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 79.61 35.58 28.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.062 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.579 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.8 OUTLIER -64.97 84.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.8 t -69.7 95.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.8 OUTLIER -117.25 177.48 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.41 148.65 49.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.533 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 3.9 p -144.3 149.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -152.65 152.96 32.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.621 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 101.07 177.61 29.13 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.422 1.076 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 153.07 -156.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.425 ' H ' ' HB2' ' A' ' 24' ' ' ALA . . . -63.55 -1.19 4.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 111.065 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.532 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.3 tp 49.23 59.01 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 30' ' ' THR . 2.4 tt0 -84.54 -98.77 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 30' ' ' THR . . . 176.36 96.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 44.17 24.52 0.58 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.459 ' CB ' ' HG2' ' A' ' 27' ' ' GLN . 32.7 m -91.39 156.6 17.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.784 . . . . 0.0 110.379 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.84 147.97 52.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.573 ' CD1' HD21 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -144.31 78.76 1.59 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -48.42 118.76 2.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.545 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 94.6 t -62.97 147.55 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' OD2' ' A' ' 51' ' ' ASP . . . -134.09 140.55 11.87 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.507 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -131.76 117.92 19.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.759 . . . . 0.0 110.363 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.487 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 7.0 m -129.85 170.56 13.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 108.286 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -133.74 112.64 11.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.477 ' CG ' ' O ' ' A' ' 39' ' ' TRP . 11.1 p-90 -82.12 111.35 18.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 108.01 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.575 HG22 ' CZ2' ' A' ' 83' ' ' TRP . 89.7 t -78.84 -109.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.436 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -91.42 37.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 70.23 -58.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 1.18 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.27 -15.5 30.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.478 1.112 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.518 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 65.2 t -128.42 135.53 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -137.26 103.26 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.528 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -79.07 92.96 5.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.487 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -80.89 149.23 29.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 108.217 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.631 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 4.0 t-20 -114.11 89.3 16.68 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -74.91 34.92 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.535 1.808 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.97 3.9 3.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.079 . . . . 0.0 109.389 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -43.4 -49.31 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 71.85 -51.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.545 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.8 m -30.82 144.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 62.2 p -139.77 139.05 36.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 63' ' ' ALA . 4.7 p -129.25 154.94 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.426 ' N ' HG23 ' A' ' 55' ' ' VAL . 1.2 m -114.13 152.47 31.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -85.57 169.91 13.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.599 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.8 p30 -129.09 119.03 23.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.32 -90.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.369 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.599 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.7 t-20 -35.97 -44.92 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.532 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.4 1.95 7.07 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.513 1.133 . . . . 0.0 111.05 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 4.0 t -77.81 134.92 37.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.74 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -71.4 160.26 33.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 65' ' ' THR . 65.8 p -162.3 106.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.501 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -179.28 -171.96 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 19.3 m -100.8 128.63 46.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.039 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.533 ' HG ' ' CG1' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -111.15 134.81 52.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.505 HG21 ' CZ ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -80.1 97.99 7.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 110.418 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.666 HG11 ' CD2' ' A' ' 112' ' ' PHE . 83.5 t -67.49 65.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.638 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -58.7 127.16 30.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.361 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.567 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 10.4 ttp180 -88.28 -71.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.2 t -75.7 111.35 10.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.589 1.181 . . . . 0.0 109.981 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.638 ' CZ ' ' HD2' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -139.36 166.03 25.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.514 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 4.3 pt-20 -115.97 71.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.444 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -74.82 152.65 44.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.125 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.706 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -102.54 134.29 46.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 0.772 . . . . 0.0 111.006 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.556 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 10.0 mp -38.17 -66.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.67 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CZ2' HG22 ' A' ' 40' ' ' VAL . 86.8 m95 -67.97 -67.84 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 107.965 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.534 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 94.43 134.9 7.62 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.534 ' C ' ' O ' ' A' ' 84' ' ' GLY . 2.8 t 27.49 45.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 0.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 84' ' ' GLY . 8.0 p -91.82 141.96 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.43 ' O ' ' HB ' ' A' ' 90' ' ' THR . 12.4 m-20 -72.02 90.31 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -52.97 -32.52 46.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 108.306 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.54 ' OG1' ' N ' ' A' ' 113' ' ' ASN . 2.5 t -63.52 -35.71 81.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.444 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -65.61 -28.94 69.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.434 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -109.08 30.62 6.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 33.91 54.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.555 ' SG ' ' CE2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -50.86 -178.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 108.283 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.443 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 13.8 pm0 -140.54 152.96 45.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.507 ' CG2' ' HG2' ' A' ' 36' ' ' GLN . 14.3 p -139.95 89.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -119.31 -163.65 12.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.573 HD21 ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -87.41 158.75 18.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 0.799 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.555 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -148.4 108.9 4.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.952 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.505 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 1.7 p30 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.505 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 88.24 177.32 47.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.442 1.089 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 98.18 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.541 1.811 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -154.04 19.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -74.7 175.0 50.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.45 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 9.9 p -91.51 103.44 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.571 0.806 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -72.47 106.37 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.236 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.574 HG21 ' CD1' ' A' ' 13' ' ' LEU . 38.4 mt -130.42 151.12 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.548 ' N ' HG22 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -70.81 100.51 1.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.064 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.666 ' CD2' HG11 ' A' ' 69' ' ' VAL . 4.0 m-30 -81.16 12.25 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.54 ' N ' ' OG1' ' A' ' 89' ' ' THR . 33.5 t30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.39 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.449 ' C ' ' N ' ' A' ' 24' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.529 ' CB ' ' HG ' ' A' ' 97' ' ' LEU . . . -77.95 126.2 30.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.455 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 18.5 p -151.45 153.84 35.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.35 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.485 HG21 ' CG2' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -101.16 124.7 55.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.539 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.14 -58.32 0.49 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.95 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.792 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.83 28.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.542 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 64.2 p 176.66 63.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.06 . . . . 0.0 109.979 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.497 ' C ' ' N ' ' A' ' 14' ' ' SER . . . -56.04 -24.38 42.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.562 1.164 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.542 ' CD1' ' O ' ' A' ' 11' ' ' SER . 0.3 OUTLIER 47.04 19.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 0.782 . . . . 0.0 109.347 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.497 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -137.85 118.98 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.993 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.591 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 55.5 t0 -54.66 96.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.521 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 99.0 37.11 4.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.527 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -67.85 78.45 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 0.741 . . . . 0.0 110.432 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 4.6 t -61.89 94.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.523 HG13 ' CG2' ' A' ' 17' ' ' THR . 12.9 m -106.32 -175.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.075 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -86.73 109.82 19.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.472 ' CG2' HD22 ' A' ' 67' ' ' LEU . 8.2 p -102.26 126.01 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -133.05 159.2 40.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.636 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 98.16 176.43 33.23 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.636 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 152.35 -159.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.8 -2.88 3.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.556 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.9 OUTLIER 49.37 64.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.465 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 3.8 mt-30 -91.23 -96.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 172.35 87.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.424 ' N ' ' HB1' ' A' ' 57' ' ' ALA . . . 66.12 15.27 62.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.7 m -71.58 171.8 10.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.455 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -100.12 142.54 31.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.495 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 21.5 m-85 -137.93 77.25 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.43 127.83 23.69 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.496 HG21 ' CD1' ' A' ' 67' ' ' LEU . 38.6 t -58.01 164.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.488 ' O ' ' HB2' ' A' ' 36' ' ' GLN . . . -133.67 -75.56 0.1 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.5 ' OE1' ' NE ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 69.45 102.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.572 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 29.4 m -121.67 178.82 4.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 108.337 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.51 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -130.41 91.88 3.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -72.07 113.61 9.3 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.575 1.172 . . . . 0.0 108.007 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.486 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 16.7 t -110.79 -28.32 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER 177.65 174.68 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.38 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.1 m -55.83 91.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.08 . . . . 0.0 110.322 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.33 -10.39 46.69 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.431 1.082 . . . . 0.0 111.096 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.496 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 2.2 t -97.2 40.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.593 0.819 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 2.6 tt -99.32 96.23 7.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.438 ' CA ' HD11 ' A' ' 77' ' ' LEU . . . -76.59 93.68 3.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.572 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -70.35 154.59 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 108.255 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.507 ' C ' ' H ' ' A' ' 50' ' ' ALA . 24.6 t-20 -115.52 81.17 8.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.94 28.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.472 1.775 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.507 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -126.38 0.09 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -46.75 -53.93 10.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.593 1.183 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.516 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER 78.01 -39.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.444 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 18.0 m -43.27 158.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 34' ' ' VAL . 79.7 p -156.06 143.45 19.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.491 ' CG1' HD22 ' A' ' 97' ' ' LEU . 5.2 p -128.58 146.74 33.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.7 m -108.17 151.79 25.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.424 1.078 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -77.3 170.68 16.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.647 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.5 p30 -131.29 120.47 23.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.521 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.35 -88.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.647 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.9 t-20 -37.61 -46.75 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.187 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.556 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 129.78 -1.38 5.93 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.489 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -77.0 135.99 38.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 0.716 . . . . 0.0 109.984 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -69.42 160.07 32.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.165 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' A' ' 65' ' ' THR . 31.1 p -166.71 110.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.475 HG22 ' N ' ' A' ' 66' ' ' SER . 2.5 t -177.61 -162.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.475 ' N ' HG22 ' A' ' 65' ' ' THR . 87.8 p -107.66 133.61 51.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 1.3 mp -126.66 122.69 35.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.534 ' O ' ' N ' ' A' ' 70' ' ' ARG . 2.7 t -69.56 94.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.529 HG11 ' CE2' ' A' ' 112' ' ' PHE . 98.9 t -64.93 67.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.598 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 0.2 OUTLIER -47.83 146.19 2.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.591 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -104.3 -49.55 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.1 p -131.17 144.51 51.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.575 1.172 . . . . 0.0 109.979 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 50.5 p90 -179.97 -167.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.431 ' HA ' ' N ' ' A' ' 85' ' ' THR . 0.0 OUTLIER -88.43 111.6 21.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.372 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -113.0 136.33 13.37 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.604 ' CD2' ' CB ' ' A' ' 82' ' ' ARG . 6.4 m-85 -121.93 131.01 53.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.594 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 6.4 mp -69.26 -49.66 54.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.1 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.604 ' CB ' ' CD2' ' A' ' 76' ' ' PHE . 1.8 ptt180 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.479 ' HB3' ' CG1' ' A' ' 86' ' ' VAL . 78.7 m95 -60.29 -93.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 107.996 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 106.2 136.04 8.27 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.572 ' O ' ' CG2' ' A' ' 85' ' ' THR . 3.4 t 23.87 52.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 0.719 . . . . 0.0 110.389 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 83' ' ' TRP . 8.0 p -114.9 158.23 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.79 128.02 34.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.59 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -94.8 -31.48 13.72 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.466 1.104 . . . . 0.0 108.312 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.444 ' HB ' ' HB2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -54.62 -36.86 64.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 1.082 . . . . 0.0 110.376 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.35 -27.99 65.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.464 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -105.28 24.01 12.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 34.54 70.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.08 -179.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 108.348 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 1.3 pt20 -155.77 140.96 17.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.43 ' HA ' ' HG2' ' A' ' 36' ' ' GLN . 3.6 p -105.76 117.86 52.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -144.23 150.95 23.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.529 ' HG ' ' CB ' ' A' ' 5' ' ' ALA . 4.4 pp -103.49 156.88 17.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.53 127.09 28.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.951 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.495 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.428 ' ND2' ' H ' ' A' ' 104' ' ' GLY . 12.6 t30 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.428 ' H ' ' ND2' ' A' ' 103' ' ' ASN . . . 73.95 161.55 7.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 111.055 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 165.56 31.04 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.808 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -98.74 -46.53 5.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.55 14.32 44.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.575 1.172 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 73.0 t -78.04 80.1 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.75 111.5 6.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.662 ' O ' ' CE1' ' A' ' 112' ' ' PHE . 5.4 mt -103.79 149.92 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.439 ' N ' HG23 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -92.01 95.29 9.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.033 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.662 ' CE1' ' O ' ' A' ' 110' ' ' ILE . 1.3 m-85 -91.98 153.8 19.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 111.06 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.529 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 17.9 m-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.515 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -99.84 167.73 10.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.515 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 2.5 p -154.19 156.84 37.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.456 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.572 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 5.6 t -120.09 133.1 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.065 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.589 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.1 -61.03 0.51 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.36 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.94 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 0.0 111.062 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 t -151.21 23.61 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.082 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.496 ' CB ' HD22 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -156.08 101.18 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.932 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.695 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -79.4 13.18 23.04 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.452 1.095 . . . . 0.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.695 ' C ' ' O ' ' A' ' 12' ' ' GLY . 5.8 mt -8.94 -70.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -59.0 115.0 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.962 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.48 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 9.8 t70 -52.16 101.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.521 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 96.93 36.73 4.9 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 69' ' ' VAL . 2.3 m -62.27 88.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.449 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 4.2 t -75.1 100.71 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.484 HG21 ' CG1' ' A' ' 7' ' ' VAL . 5.2 m -132.89 171.15 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -51.0 141.69 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.527 HG21 ' CG1' ' A' ' 7' ' ' VAL . 18.2 t -147.86 128.32 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.05 160.01 35.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.367 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.622 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 100.32 175.17 30.09 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.622 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 153.75 -158.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.438 ' H ' ' HB3' ' A' ' 24' ' ' ALA . . . -63.08 -2.24 4.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 48.52 60.84 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.265 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.503 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 4.9 tt0 -84.2 -99.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 59' ' ' ALA . . . 169.24 96.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.456 ' N ' ' HB2' ' A' ' 57' ' ' ALA . . . 49.16 39.09 26.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.6 m -115.92 156.89 25.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 0.751 . . . . 0.0 110.359 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.04 151.04 41.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.464 ' O ' HG12 ' A' ' 55' ' ' VAL . 1.8 m-85 -148.45 79.35 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.34 124.96 14.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.465 HG23 ' CD1' ' A' ' 67' ' ' LEU . 70.5 t -64.32 150.79 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.7 143.48 11.5 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -132.56 115.85 15.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.597 0.822 . . . . 0.0 110.316 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 93' ' ' CYS . 3.9 m -126.43 172.82 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -149.51 162.78 39.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -90.76 143.05 27.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 107.976 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 t -116.19 -128.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 8.0 m-20 -58.74 -177.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.57 1.169 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.3 m -69.95 89.87 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 110.378 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.52 -7.51 34.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.556 1.16 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.496 ' CG2' ' HB2' ' A' ' 41' ' ' ASP . 98.6 t -95.79 138.11 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tt -133.14 144.58 50.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.346 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.75 122.0 33.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -95.18 159.5 14.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.354 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 32.6 t-20 -112.05 93.29 20.88 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.407 1.067 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.96 39.58 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.459 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -129.25 -0.54 5.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -46.99 -54.0 11.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.354 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 1.2 m-85 63.64 -54.04 0.22 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.578 1.174 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 51' ' ' ASP . 3.4 m -32.81 150.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.964 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.6 p -145.95 141.97 28.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.49 ' CG1' ' HB1' ' A' ' 63' ' ' ALA . 9.0 p -132.81 175.75 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.72 157.3 35.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 0.0 110.434 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 61' ' ' GLY . . . -88.11 155.02 20.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 60' ' ' ASN . 12.8 p30 -117.89 121.23 40.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.65 -91.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.607 ' N ' ' O ' ' A' ' 58' ' ' ASP . 3.6 m-20 -39.73 -44.64 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.52 ' O ' ' HB3' ' A' ' 57' ' ' ALA . . . 124.31 5.3 7.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 13.8 m -80.27 133.2 35.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 0.786 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -66.98 158.16 31.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.415 ' O ' ' HB ' ' A' ' 65' ' ' THR . 11.7 p -159.02 101.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.489 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.57 173.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 9.5 m -86.66 122.0 29.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -113.18 144.93 41.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.598 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -84.99 115.76 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.613 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 2.7 t -84.66 61.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.622 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -44.0 133.7 4.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.48 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 2.4 ttm180 -90.11 -71.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 5.7 p -99.83 152.74 19.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.988 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CZ ' ' CB ' ' A' ' 88' ' ' CYS . 1.8 p90 179.11 -169.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 30.9 mt-10 -98.1 76.08 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.84 140.62 38.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 4.3 t80 -122.04 151.89 40.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 0.78 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 1.6 mm? -62.01 -59.29 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.555 ' CG ' ' N ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -156.76 -62.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.555 ' N ' ' CG ' ' A' ' 83' ' ' TRP . . . -34.19 -86.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.425 1.078 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 85' ' ' THR . 1.0 OUTLIER 36.41 32.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.538 ' CG1' ' N ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 179.42 -165.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.381 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.538 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 1.7 m-20 -52.42 120.26 5.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -91.62 -21.68 20.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.162 . . . . 0.0 108.394 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.578 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 3.3 t -50.77 -27.84 8.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -23.66 66.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.681 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -111.94 41.45 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.681 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 13.14 73.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 2.0 m -70.93 -175.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 108.265 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.536 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 3.5 pm0 -150.92 163.11 39.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.208 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.421 ' HA ' ' HG2' ' A' ' 36' ' ' GLN . 7.3 p -125.46 102.4 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -113.46 163.39 12.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.485 HD11 ' CG1' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -93.58 146.56 23.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.33 136.33 45.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.6 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.6 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 95.32 149.74 26.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -74.93 142.53 28.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.435 1.755 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 3.3 mt-10 165.15 41.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.254 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.85 -167.97 42.97 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.536 ' O ' ' CB ' ' A' ' 94' ' ' GLN . 14.0 p -104.44 134.1 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.68 119.1 20.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.245 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.543 HG23 ' N ' ' A' ' 111' ' ' SER . 49.1 mt -122.85 146.83 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.543 ' N ' HG23 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -80.78 98.43 7.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.035 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.622 ' CE2' ' O ' ' A' ' 70' ' ' ARG . 70.9 m-85 -81.84 10.33 6.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.502 ' N ' ' OG1' ' A' ' 89' ' ' THR . 1.4 m-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.346 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.473 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.542 ' CB ' ' CD2' ' A' ' 97' ' ' LEU . . . -99.33 171.15 8.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 5' ' ' ALA . 81.4 p -154.1 156.46 37.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.533 ' CG2' HG21 ' A' ' 21' ' ' VAL . 3.5 t -107.68 132.62 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.626 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.63 -62.74 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.369 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.626 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.0 -160.63 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.567 1.825 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 3.8 t 159.99 28.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.468 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 17.1 p 179.5 141.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.059 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 61.93 36.25 92.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.543 ' CD1' HG23 ' A' ' 110' ' ' ILE . 5.2 mt -92.04 -145.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.86 159.42 39.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.45 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 10.4 p-10 -64.67 99.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.513 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 98.07 29.24 7.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.446 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.7 OUTLIER -71.45 96.8 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.403 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.517 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.6 t -81.25 104.2 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.5 HG23 ' CD ' ' A' ' 9' ' ' PRO . 30.6 m -127.62 171.06 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.0 mttt -60.05 138.89 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.533 HG21 ' CG2' ' A' ' 7' ' ' VAL . 20.5 t -142.29 144.01 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.452 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -146.33 157.65 43.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.596 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 102.48 177.52 27.31 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 155.06 -154.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.33 -2.47 7.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.505 ' N ' ' HH ' ' A' ' 32' ' ' TYR . 5.4 tp 51.44 69.11 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.76 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.475 ' N ' ' HA3' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -93.73 -94.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 167.83 95.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 44.5 43.05 7.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.463 ' CB ' ' HG2' ' A' ' 27' ' ' GLN . 91.4 m -115.08 155.78 26.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 0.795 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.05 148.51 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.505 ' HH ' ' N ' ' A' ' 26' ' ' LEU . 4.9 m-85 -151.15 81.18 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.69 132.51 45.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.53 HG13 ' CD2' ' A' ' 67' ' ' LEU . 95.5 t -76.46 148.54 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -131.0 -167.42 11.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 175.53 111.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 0.758 . . . . 0.0 110.338 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 7.4 m -110.24 175.77 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.585 ' CB ' ' SG ' ' A' ' 93' ' ' CYS . . . -129.75 92.19 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.373 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.435 ' O ' ' O ' ' A' ' 91' ' ' ALA . 22.6 t90 -73.33 105.81 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 107.999 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.519 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 22.0 t -107.98 -25.63 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.86 -172.82 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.8 m -54.11 -55.94 22.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.59 32.62 6.12 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.519 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 9.6 t -128.04 44.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.773 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 77' ' ' LEU . 5.8 tt -107.68 110.97 22.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.475 ' HB3' ' CD1' ' A' ' 83' ' ' TRP . . . -97.73 110.34 22.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.504 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -84.15 144.83 28.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 108.31 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 46.6 t30 -117.69 80.32 13.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 23.22 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.497 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -116.66 2.1 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.744 ' HD2' ' HB2' ' A' ' 53' ' ' SER . 0.0 OUTLIER -36.59 -34.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.603 1.189 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER 76.49 -55.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.972 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.744 ' HB2' ' HD2' ' A' ' 51' ' ' ASP . 3.5 m -38.61 154.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.938 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -155.91 145.61 21.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.551 ' CG1' HD11 ' A' ' 97' ' ' LEU . 2.4 p -141.02 168.33 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.497 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.0 OUTLIER -115.44 152.7 32.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.47 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.543 ' HB1' ' O ' ' A' ' 61' ' ' GLY . . . -78.72 166.63 22.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.618 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.3 p30 -126.69 120.02 28.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.505 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.78 -90.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.618 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.0 m-20 -36.49 -43.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.543 ' O ' ' HB1' ' A' ' 57' ' ' ALA . . . 121.09 10.58 6.71 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -89.21 131.51 35.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 109.971 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.42 163.9 12.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.1 p -160.05 109.28 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.528 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.4 OUTLIER 174.69 176.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.406 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.467 ' N ' ' CG2' ' A' ' 65' ' ' THR . 91.9 p -88.54 121.74 31.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.53 ' CD2' HG13 ' A' ' 34' ' ' VAL . 11.0 mp -109.57 145.51 36.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.52 HG21 ' CZ ' ' A' ' 70' ' ' ARG . 7.5 t -91.29 101.79 14.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 110' ' ' ILE . 1.8 t -74.74 62.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.52 ' CZ ' HG21 ' A' ' 68' ' ' THR . 0.2 OUTLIER -50.2 137.28 18.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 110.297 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.616 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 4.8 ttm180 -113.71 -71.93 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 110.267 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.5 p -59.77 84.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.653 ' CD2' ' N ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -177.79 -176.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.653 ' N ' ' CD2' ' A' ' 73' ' ' PHE . 3.2 mt-10 -159.44 162.62 35.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -127.99 -159.55 10.1 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.411 1.07 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 4.4 m-85 -102.46 142.23 33.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 0.811 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.678 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 5.4 mt -72.7 -39.6 66.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.376 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.678 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 5.9 t80 . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.59 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 10.3 ptt180 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.519 ' CZ2' ' CG1' ' A' ' 44' ' ' VAL . 20.4 m95 -88.35 -53.46 4.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.452 ' C ' ' HB2' ' A' ' 74' ' ' GLU . . . 129.08 -100.2 0.5 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.471 ' HA ' ' N ' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -150.93 102.09 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 110.407 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.53 ' CG1' ' OE2' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -135.26 166.75 27.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.37 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.43 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.4 OUTLIER -56.69 114.32 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.56 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.7 m -70.05 -40.86 74.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 108.281 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.1 t -44.4 -28.2 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 110.421 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.3 m -70.15 -26.32 63.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -124.31 11.03 8.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 40.92 72.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.585 ' SG ' ' CB ' ' A' ' 38' ' ' ALA . 23.4 m -54.01 173.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.276 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -138.46 150.19 46.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.42 ' HA ' ' HG2' ' A' ' 36' ' ' GLN . 2.7 p -122.89 121.45 63.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.431 ' CA ' ' HA2' ' A' ' 107' ' ' GLY . . . -129.61 178.99 17.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.551 HD11 ' CG1' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -101.86 152.21 21.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.5 148.09 47.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.036 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.6 t30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -126.05 179.48 16.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.404 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -75.07 135.49 19.02 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.462 1.769 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.2 OUTLIER 172.23 38.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.431 ' HA2' ' CA ' ' A' ' 96' ' ' GLY . . . -69.77 -179.05 23.51 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 5.2 t -104.15 119.02 52.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.44 114.53 6.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.543 HG23 ' CD1' ' A' ' 13' ' ' LEU . 6.0 mt -113.05 141.43 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.486 ' N ' HG22 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -94.53 103.89 15.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.987 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.616 ' CD2' ' HB2' ' A' ' 71' ' ' ARG . 2.1 m-85 -85.12 126.84 33.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.554 ' CB ' ' CD2' ' A' ' 97' ' ' LEU . . . -92.25 173.99 7.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.516 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 33.2 p -151.07 152.7 33.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.451 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.583 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.1 t -97.97 115.51 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.641 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -32.24 -64.27 0.24 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.641 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.91 -78.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.502 ' HA ' ' CG2' ' A' ' 110' ' ' ILE . 26.4 t 70.24 31.06 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.971 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.476 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 78.2 p -171.89 131.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.61 34.54 63.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.485 ' CD1' HG22 ' A' ' 110' ' ' ILE . 9.9 mt -90.6 -148.2 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 109.385 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -166.86 163.95 16.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.963 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.433 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 17.8 p-10 -61.3 87.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 110.39 34.36 2.31 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.524 1.14 . . . . 0.0 111.053 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 1.5 m -86.43 94.69 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.407 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.5 t -75.73 98.75 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.476 ' CG2' HG11 ' A' ' 7' ' ' VAL . 13.1 m -115.64 174.24 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -72.88 148.17 44.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.516 ' CG1' ' O ' ' A' ' 6' ' ' THR . 76.3 t -145.15 140.67 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.46 157.63 46.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.719 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 100.28 -172.53 24.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.428 1.08 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.719 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 141.56 -153.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.427 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -61.39 -6.02 7.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.46 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER 46.95 64.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 0.783 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.528 ' OE1' ' CZ ' ' A' ' 32' ' ' TYR . 21.4 mt-30 -90.46 -100.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.249 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.426 ' N ' ' HA2' ' A' ' 61' ' ' GLY . . . 174.14 80.39 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.13 22.59 78.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.1 m -90.04 174.04 7.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 110.377 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.62 149.09 21.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.528 ' CZ ' ' OE1' ' A' ' 27' ' ' GLN . 9.9 m-85 -144.0 78.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -49.62 127.77 16.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.531 ' CG2' ' CB ' ' A' ' 53' ' ' SER . 58.2 t -50.8 146.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.555 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -114.89 -90.27 1.71 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.549 1.156 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.555 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER 72.58 113.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.783 . . . . 0.0 110.35 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 43.9 m -129.36 -179.3 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 108.324 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.32 177.03 11.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.512 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 2.2 t-105 -111.16 136.24 50.51 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.578 HG12 ' CH2' ' A' ' 83' ' ' TRP . 43.0 t -71.53 -101.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.513 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 2.9 t0 -173.74 35.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 44' ' ' VAL . 1.0 OUTLIER 178.66 84.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 110.414 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 42' ' ' THR . . . 34.4 33.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' THR . 39.6 t -122.76 144.39 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -122.17 120.3 33.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -105.92 110.59 22.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.533 ' O ' ' CA ' ' A' ' 75' ' ' GLY . 1.1 m -78.36 173.62 12.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 108.261 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 8.3 t-20 -119.45 72.57 14.43 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.503 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.02 39.93 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.459 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -128.1 -2.67 5.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.456 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -46.9 -59.35 3.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.069 . . . . 0.0 109.266 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.422 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 70.81 -8.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.531 ' CB ' ' CG2' ' A' ' 34' ' ' VAL . 8.5 m -80.3 165.74 22.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.976 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 10.4 p -152.46 139.79 19.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.515 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 8.3 p -122.45 155.82 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -114.33 139.86 49.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.434 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -59.92 -176.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.692 ' O ' ' C ' ' A' ' 59' ' ' ALA . 54.2 p30 -142.29 131.94 24.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.692 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -7.94 77.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.689 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.0 t30 151.54 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.46 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 124.06 -14.13 7.95 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.39 1.056 . . . . 0.0 111.035 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -70.32 130.52 42.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.908 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -78.83 162.97 25.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.2 p -164.96 112.31 1.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.515 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.11 172.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.395 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 90.7 p -89.06 116.31 27.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.163 . . . . 0.0 109.977 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 4.8 mp -101.94 151.84 21.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.3 96.64 9.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.347 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.666 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 6.3 t -76.4 65.44 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.527 ' NH2' ' CB ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -67.38 148.29 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.607 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 7.3 ttm180 -118.4 -73.52 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -67.1 102.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.607 ' CD2' ' O ' ' A' ' 71' ' ' ARG . 10.9 p90 -165.46 -177.59 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HB3' ' N ' ' A' ' 85' ' ' THR . 1.1 pt-20 -123.6 114.12 19.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -86.97 -166.21 42.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.416 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 2.8 m-85 -133.15 137.32 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.617 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -39.03 -59.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.617 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.578 ' CH2' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -104.76 -86.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 107.994 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 163.97 141.13 3.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.563 ' O ' ' CG2' ' A' ' 85' ' ' THR . 10.2 t -69.07 73.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.413 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.5 p -109.52 163.64 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.601 1.188 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' A' ' 90' ' ' THR . 5.8 m-20 -77.21 106.17 8.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.654 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -43.16 -33.93 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.359 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 112' ' ' PHE . 4.0 m -50.13 -25.93 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.437 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.2 m -74.58 -24.33 58.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.44 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.586 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -127.16 27.77 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.586 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 24.86 59.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.251 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.616 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 15.5 p -48.04 177.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 0.0 OUTLIER -136.28 159.88 40.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.496 ' CG2' HG13 ' A' ' 69' ' ' VAL . 2.8 t -125.51 116.05 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' HA3' ' CB ' ' A' ' 106' ' ' GLU . . . -135.63 -171.14 12.28 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.561 1.163 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.554 ' CD2' ' CB ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -110.91 152.3 26.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 0.753 . . . . 0.0 109.26 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.0 126.58 34.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 103' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.457 ' N ' ' OD1' ' A' ' 99' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.31 -128.81 7.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.083 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 116.39 4.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.402 ' CB ' ' HA3' ' A' ' 96' ' ' GLY . 19.4 mm-40 -101.77 -70.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' A' ' 108' ' ' VAL . . . 122.99 -157.45 17.51 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.155 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' A' ' 107' ' ' GLY . 15.2 t 82.39 71.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.326 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.09 111.83 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.523 HD12 ' CG2' ' A' ' 7' ' ' VAL . 1.8 mp -103.83 144.78 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.476 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -87.77 100.94 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.666 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 41.1 m-85 -91.28 136.53 33.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 53.9 t30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 179.982 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.497 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -103.76 166.55 10.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.514 ' HA ' ' CG1' ' A' ' 108' ' ' VAL . 3.4 p -153.17 159.74 42.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.504 ' CG2' HG21 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -103.32 133.29 47.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.601 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.07 -61.55 0.48 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 0.0 110.425 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.601 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.06 -86.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 1.1 p 87.55 22.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.492 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 13.9 p -171.29 134.91 0.92 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.908 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.81 37.26 83.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.491 ' CD1' HG22 ' A' ' 110' ' ' ILE . 2.5 mt -77.16 -146.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 0.706 . . . . 0.0 109.379 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.473 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.7 t -165.78 162.22 18.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.424 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 8.0 p-10 -55.44 87.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.438 1.086 . . . . 0.0 109.357 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.494 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 96.78 42.24 3.39 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.477 ' CB ' ' HB3' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -73.43 89.0 1.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 110.391 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.3 t -76.58 85.38 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 66' ' ' SER . 17.1 m -108.69 172.18 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -70.03 146.47 51.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.504 HG21 ' CG2' ' A' ' 7' ' ' VAL . 1.3 t -139.98 148.2 23.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -143.61 151.04 39.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.712 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 103.68 -172.68 21.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.712 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 144.65 -154.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.72 -3.08 8.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.505 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER 46.69 59.65 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 0.789 . . . . 0.0 109.298 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.525 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 1.8 mm-40 -80.64 -97.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.432 1.083 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 169.03 102.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.426 ' N ' ' HB1' ' A' ' 57' ' ' ALA . . . 46.53 25.71 2.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -97.47 166.73 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.69 147.28 33.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.54 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 4.1 m-85 -146.12 78.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.47 138.46 46.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.558 ' CG2' ' CB ' ' A' ' 53' ' ' SER . 34.9 t -57.49 159.39 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.564 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -121.76 -88.8 0.98 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.577 ' CB ' ' NH2' ' A' ' 70' ' ' ARG . 3.6 tp60 73.64 105.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 0.729 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.568 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 15.9 m -122.56 -179.36 4.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 108.339 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -145.25 99.47 3.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.633 ' CE3' ' NE2' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -62.81 148.37 47.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 t -132.24 -123.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.66 177.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.3 m -67.17 90.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.1 -19.35 15.28 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' A' ' 77' ' ' LEU . 44.1 t -78.42 123.96 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.494 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 2.4 tt -134.82 125.32 26.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.768 ' CB ' ' HE2' ' A' ' 74' ' ' GLU . . . -110.27 93.97 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.568 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -75.48 156.33 35.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.246 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.701 ' ND2' ' CE2' ' A' ' 73' ' ' PHE . 25.4 t-20 -116.06 80.15 8.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.95 31.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -123.23 0.16 8.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.626 ' C ' ' H ' ' A' ' 53' ' ' SER . 1.7 p-10 -38.61 -39.91 0.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.604 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 3.0 m-85 65.23 -15.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.626 ' H ' ' C ' ' A' ' 51' ' ' ASP . 27.7 m -79.65 162.07 25.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.4 p -157.5 148.29 21.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 109.932 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.52 ' CG1' ' HG ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -134.98 164.73 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.505 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 2.0 m -112.64 151.35 30.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -84.62 153.71 23.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.58 ' O ' ' N ' ' A' ' 60' ' ' ASN . 3.5 p30 -117.18 118.77 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.47 -91.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.7 m-20 -40.57 -43.83 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.527 ' O ' ' HB2' ' A' ' 57' ' ' ALA . . . 125.81 5.41 6.39 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.465 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -72.39 127.7 33.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 109.98 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.515 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -77.01 149.88 35.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.439 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 51.8 p -144.06 109.1 4.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.501 ' CG2' ' HB ' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -179.49 167.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.443 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 93.0 p -89.7 130.4 35.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.958 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -114.34 150.71 34.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.467 ' O ' ' OE1' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -90.95 97.63 11.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.672 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 3.5 t -75.75 63.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.577 ' NH2' ' CB ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -51.54 144.45 10.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.235 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' A' ' 88' ' ' CYS . 8.7 tmm_? -112.09 -60.88 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.9 p -74.89 88.82 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.701 ' CE2' ' ND2' ' A' ' 48' ' ' ASN . 0.4 OUTLIER -178.9 -169.68 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.768 ' HE2' ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -158.68 160.34 36.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.45 ' N ' ' OE2' ' A' ' 74' ' ' GLU . . . -114.69 -162.61 14.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 3.7 m-85 -112.56 139.17 48.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.499 ' CD2' ' CD1' ' A' ' 83' ' ' TRP . 1.2 mm? -51.22 -47.7 62.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.497 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.7 t80 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.589 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.54 ' CG ' ' OE1' ' A' ' 74' ' ' GLU . 66.5 m95 -81.07 -71.15 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.26 -103.74 0.61 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.45 ' CA ' ' HB2' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -148.06 99.66 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.78 . . . . 0.0 110.381 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -125.0 174.67 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -77.47 102.34 6.85 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.716 ' C ' ' H ' ' A' ' 90' ' ' THR . 2.8 t -71.46 -142.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 108.301 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.59 ' CG2' ' O ' ' A' ' 88' ' ' CYS . 10.9 t 56.16 -5.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.128 . . . . 0.0 110.465 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.716 ' H ' ' C ' ' A' ' 88' ' ' CYS . 0.7 OUTLIER -103.16 -34.99 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.36 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -98.58 -8.14 26.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 72.03 91.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.263 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.645 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -82.51 176.14 9.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 108.32 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.633 ' NE2' ' CE3' ' A' ' 39' ' ' TRP . 7.2 pm0 -143.16 156.07 44.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.485 ' HB ' ' CD1' ' A' ' 110' ' ' ILE . 41.2 t -129.34 112.31 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.401 ' HA3' ' HA2' ' A' ' 107' ' ' GLY . . . -139.34 177.37 20.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.52 ' HG ' ' CG1' ' A' ' 55' ' ' VAL . 1.6 mm? -103.48 154.95 18.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.509 0.77 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.5 t -158.4 121.91 3.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.97 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.54 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -167.73 -126.79 0.86 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.429 1.08 . . . . 0.0 110.991 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.401 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -75.05 120.09 5.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 167.45 43.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 110.225 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.468 ' HA3' ' CG ' ' A' ' 94' ' ' GLN . . . -67.68 175.61 26.17 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.514 ' CG1' ' HA ' ' A' ' 6' ' ' THR . 3.3 p -102.03 123.97 55.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.541 0.789 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.27 108.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.51 ' CG2' ' HA ' ' A' ' 10' ' ' SER . 9.8 mt -113.34 148.98 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -91.0 107.05 18.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.672 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 45.8 m-85 -85.29 131.52 34.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 1.188 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 41.2 t30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 179.99 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.523 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 3.6 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.607 ' CB ' ' HA ' ' A' ' 24' ' ' ALA . . . -72.88 132.67 43.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 5' ' ' ALA . 52.1 p -156.01 152.6 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.572 ' O ' ' C ' ' A' ' 8' ' ' THR . 2.1 t -106.91 118.41 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.774 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -21.44 -71.69 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.394 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.774 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.0 Cg_endo -75.12 -90.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 3.8 p 88.0 32.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.507 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 81.1 p -167.87 146.99 4.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.964 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.88 40.98 50.91 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.491 HD13 ' CG1' ' A' ' 69' ' ' VAL . 11.9 mt -90.09 -148.77 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.448 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.4 OUTLIER -165.05 164.54 20.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.999 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.49 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 6.4 p-10 -58.2 101.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.87 35.47 6.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.488 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 2.0 m -79.72 85.85 5.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 0.753 . . . . 0.0 110.459 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 8.0 t -73.22 100.79 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -118.21 170.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' ' HB ' ' A' ' 8' ' ' THR . 41.4 mttt -66.31 124.82 23.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.503 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 45.0 t -122.39 143.08 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.217 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -140.16 162.71 34.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.725 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 83.68 -163.97 40.89 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.725 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 143.65 -136.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' C ' ' OH ' ' A' ' 32' ' ' TYR . . . -76.14 0.47 62.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 40.96 61.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.537 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 1.1 tp60 -86.01 -97.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 166.59 99.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.434 ' N ' ' HB1' ' A' ' 57' ' ' ALA . . . 42.17 57.41 3.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.503 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -136.74 152.65 50.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 0.77 . . . . 0.0 110.414 179.948 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.24 146.73 14.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.44 ' OH ' ' C ' ' A' ' 25' ' ' GLY . 1.6 m-85 -146.87 80.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -57.45 123.48 15.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.575 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 70.7 t -65.21 155.45 6.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -130.36 -157.96 9.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.539 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.0 OUTLIER 159.11 114.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.546 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 29.0 m -128.7 175.86 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 108.327 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -130.94 138.61 49.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.422 ' CD1' ' HA ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -104.87 109.68 21.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 107.997 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.515 HG12 ' CZ2' ' A' ' 83' ' ' TRP . 76.8 t -84.31 -104.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.468 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -92.58 35.39 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.422 ' HA ' ' CD1' ' A' ' 39' ' ' TRP . 0.7 OUTLIER 69.45 -58.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.36 -16.68 63.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 t -120.77 122.7 68.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -126.1 121.53 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.355 1.034 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.475 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -98.9 95.84 7.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.546 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -73.35 156.05 38.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 108.347 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 24.8 t-20 -113.93 89.15 15.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -74.92 34.86 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.526 1.803 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -135.06 6.87 3.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.235 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -39.69 -46.18 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.19 -59.67 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.575 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.7 m -31.88 145.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.0 p -155.39 141.0 17.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.614 1.196 . . . . 0.0 109.954 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.508 ' CG1' ' CD2' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -143.2 -163.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.511 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 0.7 OUTLIER -139.24 170.25 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.406 179.935 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -92.96 160.46 14.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.662 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.8 p30 -119.49 118.3 30.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 33.02 -88.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.253 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.662 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.1 m-20 -40.68 -45.51 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.537 ' HA3' ' C ' ' A' ' 27' ' ' GLN . . . 124.33 4.71 7.55 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.066 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -81.51 140.41 34.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.987 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -82.39 161.12 22.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 65' ' ' THR . 79.7 p -158.77 105.86 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.024 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.505 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.43 170.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.456 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.7 m -85.79 125.14 33.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.512 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 8.6 mp -115.51 141.24 48.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.361 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.569 ' CG2' ' CZ ' ' A' ' 70' ' ' ARG . 6.7 t -80.47 106.86 12.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.672 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 4.5 t -75.99 65.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.613 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -47.35 139.02 6.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.934 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.49 ' HB3' ' HA ' ' A' ' 15' ' ' ASP . 7.0 ttp180 -109.1 -74.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 p -88.18 116.44 26.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.941 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 84' ' ' GLY . 26.2 p90 -156.44 -173.79 4.65 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 74' ' ' GLU . 4.4 tm-20 -113.5 93.79 4.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.409 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -94.87 148.74 19.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.676 ' CZ ' ' HA ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -110.29 138.46 46.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 0.766 . . . . 0.0 110.978 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 9.9 mp -37.62 -64.22 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.676 ' HA ' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 111.031 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.7 ptt85 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.515 ' CZ2' HG12 ' A' ' 40' ' ' VAL . 60.5 m95 -73.36 -103.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 164.52 174.88 34.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.425 1.078 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.402 ' HA ' ' C ' ' A' ' 73' ' ' PHE . 30.9 m -63.96 69.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.366 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 84' ' ' GLY . 9.5 p -109.77 165.0 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.19 112.16 16.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.54 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.2 p -67.36 -29.02 68.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 108.27 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.454 HG21 ' CD ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -47.03 -23.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.451 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.404 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -75.12 -24.72 58.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.424 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.54 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -123.42 10.93 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.607 1.192 . . . . 0.0 109.308 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 43.33 91.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.634 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 1.7 p -70.99 -170.74 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 108.328 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 17.1 pm0 -145.08 149.18 34.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.449 HG21 ' NE2' ' A' ' 36' ' ' GLN . 87.5 t -126.64 114.35 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -132.33 157.74 22.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.409 1.068 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.508 ' CD2' ' CG1' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -92.08 151.97 20.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.763 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -134.85 146.02 48.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.584 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.584 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 94.92 176.15 38.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.56 42.6 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -109.64 -67.2 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.99 18.29 5.59 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.556 ' CG2' ' O ' ' A' ' 5' ' ' ALA . 3.5 t -76.25 75.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.02 112.85 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.548 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 6.7 mt -111.07 146.57 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.224 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.507 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -87.7 105.53 17.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.672 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 17.6 m-85 -96.62 132.57 42.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.342 179.995 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.405 ' CG2' ' HB3' ' A' ' 106' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.436 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -104.97 170.62 7.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.436 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 34.4 p -152.06 156.04 39.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.566 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.3 t -107.75 136.54 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.543 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.06 -59.29 0.81 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.943 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.566 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.9 -161.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.78 . . . . 0.0 111.045 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.0 t -152.22 20.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.946 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.577 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 51.9 p -171.78 60.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.623 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -40.6 -26.98 0.15 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.63 1.206 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 11' ' ' SER . 1.2 mt 50.61 -82.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.623 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -40.65 117.22 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.527 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 65.7 t0 -53.17 108.74 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.435 1.084 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.478 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 90.36 34.58 7.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 12' ' ' GLY . 1.8 m -64.28 85.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.794 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.3 t -70.8 88.6 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.557 1.161 . . . . 0.0 109.242 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -113.0 170.24 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.383 179.851 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -61.84 141.03 58.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.509 HG23 ' CG1' ' A' ' 7' ' ' VAL . 66.8 t -142.09 140.8 29.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.436 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -139.1 160.62 39.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.201 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.694 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 92.68 -171.24 33.03 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.694 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 147.0 -144.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 0.777 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.428 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -71.05 0.96 27.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 1.3 tp 43.78 64.15 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.399 0.706 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 11.7 tp60 -79.78 -99.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 161.26 74.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.75 69.25 1.43 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 m -155.43 160.35 40.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 0.743 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.2 151.76 22.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.512 ' O ' ' CD2' ' A' ' 97' ' ' LEU . 1.1 m-85 -151.46 80.02 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.9 OUTLIER -58.97 129.89 44.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.566 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 27.5 t -64.95 160.52 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -150.54 153.01 24.78 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -148.67 121.18 8.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.33 179.948 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 25.2 m -125.52 178.41 5.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -146.42 110.74 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.587 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -85.73 123.29 30.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 108.027 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.466 HG22 ' CB ' ' A' ' 91' ' ' ALA . 79.1 t -110.3 -27.97 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.552 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -164.62 -165.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.6 m -60.88 -53.21 60.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 110.416 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.15 27.97 8.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.428 1.08 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.3 t -121.18 43.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.249 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.587 ' HB2' ' CD1' ' A' ' 39' ' ' TRP . 1.5 tt -94.58 97.61 10.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.79 110.45 20.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.404 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.1 m -85.99 162.03 18.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.562 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 15.3 t-20 -115.27 88.93 19.49 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 38.84 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -138.34 7.95 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.467 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -38.86 -42.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.49 -60.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.566 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.8 m -34.24 151.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.431 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 63.4 p -164.56 143.39 7.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.539 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 2.4 p -148.91 -156.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 1.2 m -142.14 168.79 18.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.481 ' N ' ' CG2' ' A' ' 56' ' ' THR . . . -78.3 -177.77 5.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.704 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.3 p30 -139.04 134.44 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.704 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.23 81.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.357 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.632 ' N ' ' O ' ' A' ' 58' ' ' ASP . 6.2 t30 147.59 -35.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' A' ' 26' ' ' LEU . . . 117.44 -4.53 17.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -78.52 131.28 36.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.962 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -77.56 164.94 24.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.7 p -162.17 113.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.007 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.539 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.4 OUTLIER 175.47 175.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 19.2 m -89.7 125.53 35.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.506 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 7.7 mp -113.83 136.29 53.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.539 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 7.4 t -82.57 100.54 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.297 -179.88 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.655 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 2.6 t -70.11 64.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.229 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.539 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -46.51 130.89 11.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 110.234 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.619 ' CG ' ' CG2' ' A' ' 89' ' ' THR . 2.3 ttm180 -90.7 -72.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.1 t -97.9 126.47 43.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.025 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.462 ' CD1' ' ND2' ' A' ' 48' ' ' ASN . 37.5 p90 -163.68 -174.7 3.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 74' ' ' GLU . 4.0 pt-20 -96.61 118.04 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -113.57 153.86 17.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -145.47 142.02 28.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.78 . . . . 0.0 110.995 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.615 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 11.2 mp -57.23 -61.95 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.615 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.4 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 8.3 ptt180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.409 ' NE1' HG21 ' A' ' 40' ' ' VAL . 94.2 m95 -93.85 -74.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 107.999 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.592 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 84.1 142.23 5.22 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.592 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER 20.57 80.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 110.353 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.02 153.65 10.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.402 ' O ' ' HB ' ' A' ' 90' ' ' THR . 2.5 p30 -78.43 112.75 15.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . 0.6 OUTLIER -64.37 -25.74 68.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 108.341 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.619 ' CG2' ' CG ' ' A' ' 71' ' ' ARG . 4.7 p -50.57 -21.58 1.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.387 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -75.52 -23.27 56.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.376 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -130.89 18.26 5.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.476 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 33.82 80.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.613 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 1.7 p -54.49 -174.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 108.361 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.457 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 18.7 pm0 -144.59 144.16 31.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.504 ' CG1' HG21 ' A' ' 7' ' ' VAL . 8.2 p -120.62 126.06 74.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.12 -168.86 11.39 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -126.13 149.15 49.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.333 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.6 OUTLIER -141.53 154.61 45.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.408 ' CG ' ' H ' ' A' ' 104' ' ' GLY . 17.6 t30 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.408 ' H ' ' CG ' ' A' ' 103' ' ' ASN . . . 93.03 156.72 33.0 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.437 1.086 . . . . 0.0 111.017 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -75.04 143.78 29.33 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.7 mt-10 161.17 72.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.421 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -104.55 175.34 22.53 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 95' ' ' VAL . 7.2 p -98.39 120.31 47.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.519 0.776 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.4 114.43 3.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.497 HD11 ' CG2' ' A' ' 7' ' ' VAL . 25.3 mt -117.55 154.8 19.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.246 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.91 102.48 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.015 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.655 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 40.2 m-85 -93.06 162.7 13.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.536 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 19.0 t30 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.153 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 97' ' ' LEU . . . -104.14 150.82 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 5.6 p -148.4 158.88 44.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.51 HG21 ' CG2' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -105.56 127.15 60.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.419 1.075 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.615 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -34.08 -62.5 0.37 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.615 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.05 -162.77 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 3.1 t 159.42 36.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.507 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 6.6 t -166.95 138.79 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.94 25.85 46.57 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.575 1.172 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.526 ' HB3' ' HB ' ' A' ' 17' ' ' THR . 6.1 mt -79.33 -95.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.76 . . . . 0.0 109.306 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.52 ' CB ' ' HB2' ' A' ' 71' ' ' ARG . 17.3 t 48.86 -171.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.941 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.501 ' N ' ' OG ' ' A' ' 14' ' ' SER . 20.9 t0 52.07 33.21 11.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.534 ' HA2' ' HA ' ' A' ' 70' ' ' ARG . . . 57.31 44.93 93.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 111.042 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.548 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.7 OUTLIER -54.5 88.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 110.42 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.519 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.4 t -72.18 76.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 66' ' ' SER . 2.6 m -87.83 -170.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.374 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -92.73 138.76 31.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.496 HG12 ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -126.66 142.78 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.52 153.82 45.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.714 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 100.61 -173.82 25.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.714 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 143.36 -159.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.46 -5.13 4.53 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.5 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 45.9 66.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.498 ' CB ' ' OH ' ' A' ' 32' ' ' TYR . 4.6 tp60 -88.57 -100.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 166.78 78.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.19 66.01 1.99 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -142.89 169.4 17.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.4 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.37 148.35 27.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.585 ' CD1' HD13 ' A' ' 97' ' ' LEU . 4.9 m-85 -145.13 76.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.49 141.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.547 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 2.3 t -79.04 150.53 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.534 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -123.9 -169.5 13.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 2.1 tp60 158.0 108.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 110.305 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.538 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 36.0 m -121.38 -179.45 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 108.284 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -143.84 97.69 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.515 ' CD2' HD12 ' A' ' 45' ' ' LEU . 2.2 t90 -61.28 125.12 22.62 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 41' ' ' ASP . 57.6 t -110.7 -104.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.433 ' N ' HG13 ' A' ' 40' ' ' VAL . 1.5 t0 -60.17 -160.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 m -80.61 -37.58 30.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.32 27.44 6.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 77' ' ' LEU . 39.7 t -125.86 127.76 71.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.786 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.515 HD12 ' CD2' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -136.35 99.53 4.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -69.81 89.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.538 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -74.14 158.68 33.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 108.263 -179.944 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 36.4 t30 -117.14 77.7 9.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.06 35.03 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -134.11 6.62 3.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -47.88 -47.54 31.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 10.3 m-85 71.93 -40.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.547 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.1 m -42.21 165.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 110.028 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.2 p -160.59 147.93 15.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.953 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.569 ' CG2' HG23 ' A' ' 65' ' ' THR . 1.4 p -135.31 164.9 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.479 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.7 m -127.66 152.8 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -67.09 -179.03 0.87 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.718 ' O ' ' N ' ' A' ' 60' ' ' ASN . 56.1 p30 -141.5 134.77 29.44 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.679 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -12.37 79.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.718 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.7 t30 151.3 -36.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.5 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 120.58 -13.05 10.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.6 OUTLIER -73.25 135.67 44.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.989 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -82.35 157.36 23.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 65' ' ' THR . 97.3 p -160.55 119.11 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.152 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.569 HG23 ' CG2' ' A' ' 55' ' ' VAL . 11.3 t -178.66 -138.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.56 ' N ' HG21 ' A' ' 65' ' ' THR . 41.5 m -138.7 139.9 38.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.519 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -118.78 137.01 53.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.546 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -87.11 92.5 9.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.601 HG11 ' CZ ' ' A' ' 112' ' ' PHE . 3.9 t -68.14 66.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.546 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -61.79 131.78 50.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.52 ' HB2' ' CB ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -94.58 -76.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.79 103.96 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.001 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.653 ' CE1' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -152.23 -179.72 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 1.2 pm0 -110.31 98.21 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.62 158.32 33.68 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.437 1.085 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 4.2 m-85 -119.91 137.26 54.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.622 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -36.33 -59.47 0.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.622 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.7 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.559 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 5.7 ppt_? . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -61.74 -90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 110.44 151.56 12.94 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.637 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER 16.07 77.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.575 0.809 . . . . 0.0 110.386 179.913 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.3 p -128.17 141.73 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.48 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.4 OUTLIER -83.36 103.68 12.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.653 ' SG ' ' CE1' ' A' ' 73' ' ' PHE . 2.1 m -47.76 -40.72 21.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 6.6 t -51.71 -21.45 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 37.1 m -84.22 -19.0 34.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.531 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -134.53 25.84 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 28.72 86.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.63 ' CB ' ' CZ ' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -52.12 -177.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 108.252 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 19.4 pm0 -156.08 139.1 15.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.421 ' CG1' HD12 ' A' ' 67' ' ' LEU . 1.9 t -105.92 127.81 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.55 171.61 23.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.585 HD13 ' CD1' ' A' ' 32' ' ' TYR . 1.1 tm? -90.51 154.47 19.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.433 ' N ' HD11 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -134.21 99.94 4.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.234 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 99' ' ' ASP . 1.8 p30 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.02 -156.63 18.24 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.6 4.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.582 1.832 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 170.48 40.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.429 ' HA3' ' CG ' ' A' ' 94' ' ' GLN . . . -81.78 164.92 45.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 6' ' ' THR . 42.4 t -92.03 108.12 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.92 100.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.475 HG22 ' CD1' ' A' ' 13' ' ' LEU . 4.2 mt -106.93 150.9 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.507 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -89.51 108.38 19.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.035 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.63 ' CZ ' ' CB ' ' A' ' 93' ' ' CYS . 8.9 m-85 -95.67 127.91 42.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.99 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.472 ' CB ' HD11 ' A' ' 97' ' ' LEU . . . -98.5 175.36 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.463 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 22.5 p -152.26 153.71 34.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 110.419 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.539 ' CG1' HG23 ' A' ' 19' ' ' VAL . 43.8 t -110.44 122.56 65.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.748 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -33.16 -69.47 0.14 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.748 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.02 169.06 23.44 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.774 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.429 ' HA ' HG12 ' A' ' 110' ' ' ILE . 1.5 p -155.18 19.7 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 27.2 p 174.38 150.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 73.89 35.39 54.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.499 ' CD1' HG21 ' A' ' 110' ' ' ILE . 5.5 mt -99.16 -151.06 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -160.03 164.37 33.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.502 ' HA ' ' CG ' ' A' ' 71' ' ' ARG . 22.0 t0 -63.16 92.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.45 ' H ' ' HA ' ' A' ' 70' ' ' ARG . . . 109.76 32.03 3.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.472 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 1.1 m -77.36 78.3 3.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.786 . . . . 0.0 110.374 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 10.8 t -64.81 81.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.539 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.9 OUTLIER -94.69 166.3 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -66.48 142.89 57.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.562 ' CG1' HD21 ' A' ' 67' ' ' LEU . 75.7 t -140.37 144.09 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.461 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -146.94 154.04 40.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.613 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 104.82 176.17 24.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.613 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 154.37 -160.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 0.725 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.411 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -63.09 -2.59 5.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.565 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.1 tp 47.41 68.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 1.1 tm0? -98.33 -86.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 164.53 84.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.426 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 71.72 6.9 64.1 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.44 ' N ' ' HB3' ' A' ' 57' ' ' ALA . 98.3 m -65.42 167.85 8.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.407 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.523 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -91.36 145.03 24.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.599 ' CE2' ' HB1' ' A' ' 24' ' ' ALA . 14.8 m-85 -142.75 77.96 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -52.1 125.27 15.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.799 ' HB ' ' HD2' ' A' ' 51' ' ' ASP . 63.5 t -68.3 152.66 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.573 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -133.51 -174.6 13.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.62 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -178.48 113.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.523 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 4.0 m -122.47 168.86 11.6 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.484 1.115 . . . . 0.0 108.295 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 93' ' ' CYS . . . -139.84 110.31 6.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.488 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -74.98 116.03 15.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 107.974 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 t -102.42 -26.99 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.476 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 2.1 t70 -172.45 54.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' A' ' 43' ' ' GLY . 1.1 m 63.12 -85.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.406 ' N ' ' CG2' ' A' ' 42' ' ' THR . . . -72.52 -2.61 55.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.386 1.054 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 3.7 t -111.67 46.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -94.85 108.85 20.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -77.56 103.19 7.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.523 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -81.44 145.0 30.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 108.307 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.729 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 40.5 t30 -117.5 78.48 11.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.426 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -75.03 7.3 2.94 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' C ' ' N ' ' A' ' 52' ' ' PHE . . . -96.34 -2.14 46.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.799 ' HD2' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -38.39 -31.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.948 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.616 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 7.7 m-85 65.24 -52.11 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -36.5 149.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.041 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 p -153.76 139.31 17.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.497 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 7.7 p -122.85 153.54 27.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 m -108.56 150.22 27.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 110.484 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.487 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -73.1 174.71 7.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.0 p30 -135.17 121.6 20.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.525 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.19 -88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.241 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.658 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.7 m-20 -38.34 -46.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.565 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 129.37 -1.71 6.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 49.4 m -77.54 141.71 39.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.787 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.471 ' HB3' ' CB ' ' A' ' 24' ' ' ALA . . . -79.76 159.6 26.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 65' ' ' THR . 79.1 p -159.05 110.43 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.497 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.96 174.55 0.68 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 5.6 m -92.27 131.35 37.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.963 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.562 HD21 ' CG1' ' A' ' 21' ' ' VAL . 5.8 mp -113.56 134.49 54.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.516 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 1.1 t -75.82 97.82 4.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.479 ' CG1' HD12 ' A' ' 13' ' ' LEU . 23.2 t -70.53 60.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.516 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -65.13 143.79 57.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.669 ' HB3' ' CG ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -111.69 -72.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 87' ' ' ASP . 96.1 p -66.11 82.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.729 ' CE1' ' HB2' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -137.17 150.53 47.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.418 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 16.1 pt-20 -77.75 116.57 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -113.73 158.36 14.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.571 1.169 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 4.9 m-85 -116.17 136.46 52.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.621 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 11.2 mp -39.15 -61.99 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.621 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.0 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.529 ' CE2' HD12 ' A' ' 77' ' ' LEU . 67.9 m95 -89.93 -75.83 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 107.955 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 112.93 139.17 7.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.517 ' O ' ' CG2' ' A' ' 85' ' ' THR . 5.2 t 31.26 52.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.9 t -75.65 109.36 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.553 ' O ' ' N ' ' A' ' 90' ' ' THR . 31.1 m-20 -69.39 95.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 1.296 ' SG ' ' SG ' ' A' ' 93' ' ' CYS . 62.0 m -43.21 -48.59 6.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 108.276 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 112' ' ' PHE . 2.4 t -49.32 -28.78 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.473 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.553 ' N ' ' O ' ' A' ' 87' ' ' ASP . 61.9 m -69.37 -28.24 66.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.596 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -138.74 36.86 2.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.596 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 23.33 65.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 1.296 ' SG ' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -53.65 -175.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 108.305 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.52 HE21 ' N ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -138.1 161.32 37.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.52 ' N ' HE21 ' A' ' 94' ' ' GLN . 4.7 p -132.95 110.86 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.278 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -124.48 173.24 16.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 5' ' ' ALA . 12.6 mt -96.1 153.57 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -132.43 121.21 23.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 1.1 p30 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.519 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 69.99 -176.77 32.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.148 . . . . 0.0 110.961 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -166.26 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.8 -62.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 129.45 39.58 0.29 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.517 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 4.3 t -100.09 72.64 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 109.346 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.79 109.95 3.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.499 HG21 ' CD1' ' A' ' 13' ' ' LEU . 28.9 mt -110.42 143.87 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.473 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 1.1 m -93.57 108.7 20.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.669 ' CG ' ' HB3' ' A' ' 71' ' ' ARG . 15.5 m-85 -90.25 124.02 34.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.977 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.457 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -104.39 163.93 12.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.502 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 18.2 p -149.45 155.12 39.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.492 ' HB ' ' CD1' ' A' ' 110' ' ' ILE . 2.3 t -96.71 135.9 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.54 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.6 -58.7 0.99 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.54 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.01 177.78 8.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.558 1.82 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.462 ' HA ' HG12 ' A' ' 110' ' ' ILE . 24.0 p -156.03 16.88 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 10' ' ' SER . 12.3 p 167.67 160.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.14 38.01 91.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.559 ' CD1' HG21 ' A' ' 110' ' ' ILE . 5.1 mt -91.65 -147.64 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.461 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -158.96 163.7 36.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.96 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.53 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 35.2 t0 -58.29 95.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.447 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 93.21 38.72 5.3 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 14' ' ' SER . 1.0 OUTLIER -67.85 84.26 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 0.737 . . . . 0.0 110.441 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 5.7 t -73.8 93.38 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.236 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.482 HG22 ' CG1' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -115.9 178.27 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -75.95 142.5 41.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.516 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 53.7 t -141.68 142.86 28.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.93 163.01 34.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.611 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 101.05 175.82 29.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.611 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 154.28 -155.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.1 -0.68 7.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.523 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.4 tp 47.31 62.92 2.18 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.483 ' CB ' ' OH ' ' A' ' 32' ' ' TYR . 7.5 tt0 -94.98 -99.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.6 90.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.35 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.423 ' N ' ' HB1' ' A' ' 57' ' ' ALA . . . 55.8 15.68 10.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 1.7 m -70.95 169.57 14.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -87.61 142.9 27.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.585 ' CD1' HD23 ' A' ' 97' ' ' LEU . 11.5 m-30 -142.76 77.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -52.63 130.37 32.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.504 ' CG2' ' HB3' ' A' ' 53' ' ' SER . 41.5 t -60.28 154.35 4.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.532 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -113.13 -81.09 1.04 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.137 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.549 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 5.4 tp60 72.88 99.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.494 0.761 . . . . 0.0 110.342 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 35.7 m -121.72 -177.28 3.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 108.297 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -162.86 135.97 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.494 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -58.61 170.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.516 HG21 ' CD1' ' A' ' 83' ' ' TRP . 69.5 t -139.4 -103.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.438 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -86.14 -171.91 3.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.0 m -72.84 89.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.452 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.81 -4.05 42.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.558 ' CG1' ' CD1' ' A' ' 77' ' ' LEU . 12.4 t -107.64 129.78 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.454 HD11 ' CD2' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -124.86 148.46 48.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.452 ' N ' HG23 ' A' ' 40' ' ' VAL . . . -125.47 126.9 45.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.6 m -90.6 170.01 10.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 108.342 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 14.1 t30 -116.9 78.07 9.12 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.386 1.054 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.08 35.23 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -128.76 -0.22 5.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 1.2 p30 -54.34 -59.51 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.544 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER 78.51 -24.08 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.593 1.183 . . . . 0.0 110.991 179.964 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.504 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 1.9 m -53.54 158.18 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 110.073 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 t -155.31 143.1 19.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.499 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 8.6 p -129.63 149.08 33.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -105.41 148.69 26.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.355 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.518 ' HA ' ' HA ' ' A' ' 63' ' ' ALA . . . -75.4 174.33 9.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.6 p30 -135.12 121.37 20.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.533 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.98 -89.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.075 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.642 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.7 m-20 -36.56 -46.49 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.523 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.89 0.46 6.04 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -78.36 137.14 37.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.049 179.925 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.518 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . . . -76.22 158.37 31.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.5 p -157.96 112.61 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.499 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.22 174.95 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 75.1 m -92.04 127.52 37.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.516 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 2.3 mp -111.35 136.84 49.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.558 ' O ' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -84.69 89.44 7.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.618 1.199 . . . . 0.0 110.356 -179.921 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.71 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 4.7 t -64.15 67.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -56.09 137.71 50.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.427 1.079 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.536 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.2 OUTLIER -97.19 -73.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.212 -179.908 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 4.9 t -87.25 131.54 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.966 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 85' ' ' THR . 17.3 p90 -179.66 -165.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.634 ' HA ' ' H ' ' A' ' 85' ' ' THR . 1.2 pm0 -115.83 133.96 55.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.18 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.02 -175.14 15.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 1.3 m-85 -138.33 140.22 39.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 0.731 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.593 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 4.3 mm? -48.54 -60.95 2.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.593 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.4 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.516 ' CD1' HG21 ' A' ' 40' ' ' VAL . 42.5 t-105 -167.67 -175.56 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 88.91 -103.99 3.04 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.634 ' H ' ' HA ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER 35.47 34.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.51 0.771 . . . . 0.0 110.456 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 72' ' ' SER . 0.3 OUTLIER -160.94 -177.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.493 ' CB ' ' HD3' ' A' ' 71' ' ' ARG . 90.3 m-20 -78.05 97.51 5.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.536 ' SG ' ' O ' ' A' ' 71' ' ' ARG . 3.4 p -43.99 -28.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 108.294 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.529 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 1.5 t -49.92 -24.55 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.23 -24.4 63.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.53 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -115.74 38.29 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.53 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 30.41 58.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.696 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -44.0 165.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 108.264 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 12.5 pm0 -141.08 153.8 45.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.423 HG22 ' NE2' ' A' ' 36' ' ' GLN . 53.7 t -126.5 126.03 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -152.68 173.22 31.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.585 HD23 ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -87.58 143.55 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.564 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -130.92 130.56 43.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.992 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 1.8 p30 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 81.26 -153.95 34.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 118.75 5.39 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 106' ' ' GLU . 5.4 mp0 -78.5 -99.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 94' ' ' GLN . . . 160.43 -157.11 28.48 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.569 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 2.5 t 68.72 75.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.55 110.88 9.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.559 HG21 ' CD1' ' A' ' 13' ' ' LEU . 35.3 mt -114.03 147.12 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.9 OUTLIER -87.09 118.34 26.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.929 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.71 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 2.3 m-85 -97.42 17.77 16.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 39.4 t30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 179.983 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -105.39 148.49 27.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.465 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 5.5 p -136.07 156.56 48.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.486 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.7 p -114.64 146.34 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.465 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -42.45 -54.9 7.45 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.138 . . . . 0.0 110.376 179.941 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.52 ' CD ' HG21 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.94 -159.59 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.064 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 p -173.94 -24.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.4 p -164.9 169.8 16.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 61.97 30.26 74.91 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.523 ' CD1' HG22 ' A' ' 110' ' ' ILE . 6.2 mt -88.97 -146.16 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 0.785 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.13 158.01 39.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.542 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 7.6 p-10 -57.04 100.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.468 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 92.0 36.76 6.23 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -69.66 84.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.36 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 t -70.08 99.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.52 HG21 ' CD ' ' A' ' 9' ' ' PRO . 31.4 m -124.67 179.23 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -72.53 150.35 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.523 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 3.8 p -140.03 151.32 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -152.12 144.27 23.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.611 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 102.45 178.36 27.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.611 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 154.59 -157.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.37 0.39 3.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.603 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 4.0 tp 48.61 62.92 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.515 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 39.8 tp60 -83.29 -98.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.178 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' N ' ' HG3' ' A' ' 27' ' ' GLN . . . 170.04 92.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.457 ' N ' ' HB2' ' A' ' 57' ' ' ALA . . . 46.51 35.04 6.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.495 ' HB ' ' CG ' ' A' ' 27' ' ' GLN . 1.1 m -106.99 166.33 10.69 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.543 0.79 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.465 ' N ' ' CG2' ' A' ' 30' ' ' THR . . . -70.65 146.45 49.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.617 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 2.3 m-85 -142.11 78.91 1.65 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.42 121.53 8.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.495 ' CG2' HD11 ' A' ' 67' ' ' LEU . 59.3 t -59.74 159.36 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.409 ' HA2' ' CG ' ' A' ' 51' ' ' ASP . . . -151.58 138.47 6.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -128.65 117.7 21.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 0.783 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.535 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 4.9 m -128.39 172.47 11.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.269 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.511 ' CB ' ' HB2' ' A' ' 93' ' ' CYS . . . -145.78 141.87 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.99 134.08 35.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 108.017 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.471 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 59.0 t -99.51 -113.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.427 ' O ' ' HB ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -150.3 137.94 19.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.551 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 0.9 OUTLIER 68.66 84.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.4 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' THR . . . 32.57 37.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.551 ' CG2' ' O ' ' A' ' 42' ' ' THR . 55.2 t -115.41 121.0 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.46 120.3 12.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.25 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -103.9 129.62 51.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 1.1 m -97.74 161.36 13.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.612 ' OD1' ' CE1' ' A' ' 73' ' ' PHE . 3.6 t-20 -114.51 89.62 18.8 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 38.97 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.553 1.818 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.608 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -129.98 2.32 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.566 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -50.25 -53.45 28.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 16.3 m-85 68.37 -51.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.479 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 2.7 m -32.71 148.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 0.0 109.945 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.416 ' N ' HG22 ' A' ' 34' ' ' VAL . 13.7 p -150.98 142.53 23.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.956 179.909 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.565 ' CG2' ' N ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -135.92 167.42 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.565 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.8 m -111.98 156.04 22.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 61' ' ' GLY . . . -86.79 171.12 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.645 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.4 p30 -129.66 121.55 27.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.561 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 27.59 -89.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.645 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.4 m-20 -34.84 -47.52 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.603 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.39 2.94 6.83 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.5 m -86.06 142.88 28.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.956 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.524 ' CB ' ' CD2' ' A' ' 97' ' ' LEU . . . -76.07 158.66 31.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 65' ' ' THR . 53.4 p -161.13 110.01 1.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.516 ' OG1' ' N ' ' A' ' 66' ' ' SER . 5.2 t 179.16 -131.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.405 -179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.516 ' N ' ' OG1' ' A' ' 65' ' ' THR . 53.8 p -140.66 126.89 19.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.523 ' HG ' ' CG1' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -112.01 152.61 27.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 70' ' ' ARG . 1.8 t -91.48 95.73 10.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.546 HG12 ' CE2' ' A' ' 112' ' ' PHE . 21.2 t -66.27 65.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.594 ' HD2' ' CE2' ' A' ' 73' ' ' PHE . 5.5 mtm180 -61.17 131.54 50.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.542 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 61.5 ttp180 -89.91 -76.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.475 ' HA ' ' C ' ' A' ' 86' ' ' VAL . 88.5 p -65.5 124.62 22.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.612 ' CE1' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -150.53 161.66 42.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.506 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -99.55 64.45 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -39.3 159.7 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.438 1.086 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.441 ' CD1' ' HA ' ' A' ' 82' ' ' ARG . 51.4 t80 -140.59 139.18 34.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.697 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 4.0 mm? -38.14 -62.94 0.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.697 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.441 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.466 ' CD1' ' HB ' ' A' ' 85' ' ' THR . 13.3 t-105 -110.48 -37.57 5.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 107.997 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.506 ' HA2' ' HA ' ' A' ' 74' ' ' GLU . . . 52.45 85.12 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 86' ' ' VAL . 5.9 t -95.06 12.93 26.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 0.761 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.575 ' C ' ' O ' ' A' ' 85' ' ' THR . 6.2 p 26.58 -139.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.23 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.537 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.2 OUTLIER -37.69 93.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.939 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 93' ' ' CYS . 4.2 m -43.13 -33.12 0.82 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 108.336 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.469 HG22 ' CB ' ' A' ' 87' ' ' ASP . 9.7 t -49.83 -24.21 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.421 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.2 m -74.1 -25.92 60.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -129.24 19.04 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 34.22 51.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -52.19 -175.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 108.294 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.437 ' N ' ' CD ' ' A' ' 94' ' ' GLN . 2.9 pm0 -137.68 159.37 42.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.511 ' CG1' ' CD1' ' A' ' 110' ' ' ILE . 10.0 p -133.41 98.55 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.409 ' HA3' ' HA2' ' A' ' 107' ' ' GLY . . . -118.41 -167.02 13.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.524 ' CD2' ' CB ' ' A' ' 63' ' ' ALA . 2.5 mp -103.94 161.67 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.1 t -157.0 120.48 4.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.617 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.4 t30 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.93 -88.01 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.4 Cg_endo -74.93 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.546 1.814 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.555 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 1.5 tp10 90.72 34.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.409 ' HA2' ' HA3' ' A' ' 96' ' ' GLY . . . -75.6 -175.46 37.79 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.426 ' N ' ' HB2' ' A' ' 94' ' ' GLN . 6.3 p -102.03 126.23 56.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 0.809 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.62 109.58 4.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.523 HG22 ' CD1' ' A' ' 13' ' ' LEU . 4.8 mt -107.64 139.45 29.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -99.68 97.52 8.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.029 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.546 ' CE2' HG12 ' A' ' 69' ' ' VAL . 6.1 m-85 -75.14 127.22 32.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 7.7 t-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.435 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -113.48 164.29 13.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.435 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 9.1 p -149.53 156.1 41.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.5 p -119.14 146.1 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.357 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.452 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.94 -54.67 1.37 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.07 . . . . 0.0 110.361 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.55 ' HB2' ' CD2' ' A' ' 13' ' ' LEU . 18.4 Cg_endo -74.96 -157.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 t 175.65 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.501 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 92.1 p -155.33 151.73 28.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 76.33 22.7 72.68 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.55 ' CD2' ' HB2' ' A' ' 9' ' ' PRO . 2.1 mp -75.5 -152.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 0.809 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.42 159.24 35.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.553 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 17.5 t0 -55.65 96.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.469 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 96.86 37.28 4.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.522 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -69.94 83.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 110.333 -179.889 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 5.7 t -71.13 114.95 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.488 HG23 ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -143.72 -178.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.948 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.88 146.31 33.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 65' ' ' THR . 0.9 OUTLIER -139.44 146.13 26.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.387 1.055 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -148.02 155.36 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.617 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 87.9 -176.54 45.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.617 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 154.14 -137.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 0.737 . . . . 0.0 109.258 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.99 3.39 51.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.55 ' N ' ' HH ' ' A' ' 32' ' ' TYR . 5.9 tp 46.72 67.5 0.77 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.561 0.801 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 3.1 tp-100 -83.54 -97.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 163.81 90.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.473 ' N ' ' HB2' ' A' ' 57' ' ' ALA . . . 45.31 49.02 10.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.452 ' HB ' ' CG ' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -127.9 152.67 47.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.467 0.745 . . . . 0.0 110.336 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.88 151.76 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.55 ' HH ' ' N ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -147.38 78.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 111.01 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' SER . 9.5 t0 -55.43 112.72 1.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.6 ' CG2' HD23 ' A' ' 67' ' ' LEU . 33.6 t -56.33 156.93 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.474 ' N ' HG12 ' A' ' 34' ' ' VAL . . . -152.82 131.75 3.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.474 ' NE2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -119.29 112.92 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.524 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 12.2 m -130.57 174.31 10.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 108.353 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.532 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -133.89 88.82 2.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.548 ' CG ' ' O ' ' A' ' 39' ' ' TRP . 4.2 p-90 -78.2 102.03 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.014 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 55.0 t -93.57 -101.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.48 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 5.0 t0 -85.4 45.48 1.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 64.76 -76.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -63.55 -11.14 40.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.475 HG11 ' CD2' ' A' ' 77' ' ' LEU . 3.4 t -107.32 58.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -99.19 97.72 8.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.548 ' HB3' ' CD1' ' A' ' 83' ' ' TRP . . . -79.13 95.8 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.596 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -83.85 140.38 32.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 108.258 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.64 ' ND2' ' CE1' ' A' ' 73' ' ' PHE . 7.8 t30 -110.88 93.34 16.93 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.1 Cg_endo -75.02 37.12 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -126.37 -1.96 6.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 34' ' ' VAL . 0.6 OUTLIER -43.34 -53.83 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.368 179.944 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.48 -52.14 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 52' ' ' PHE . 11.9 m -30.48 147.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 p -147.62 138.67 23.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 4.3 p -134.49 179.44 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -130.36 150.86 51.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.38 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.473 ' HB2' ' N ' ' A' ' 29' ' ' GLY . . . -80.83 164.2 22.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.376 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 60' ' ' ASN . 5.2 p30 -125.79 118.89 26.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.81 -89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.642 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.6 m-20 -38.31 -43.71 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.504 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 122.46 6.39 8.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.8 m -83.63 144.4 29.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.481 ' CB ' HD21 ' A' ' 97' ' ' LEU . . . -77.15 169.92 17.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.435 ' O ' ' HB ' ' A' ' 65' ' ' THR . 33.9 p -171.02 102.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.473 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.5 OUTLIER 177.69 171.08 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.8 p -86.71 124.61 33.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.035 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.6 HD23 ' CG2' ' A' ' 34' ' ' VAL . 9.4 mt -112.17 162.84 15.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.514 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 1.7 t -100.24 94.95 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.437 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.563 ' CG1' HG22 ' A' ' 110' ' ' ILE . 22.1 t -67.65 69.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.609 ' HD2' ' CE2' ' A' ' 73' ' ' PHE . 1.5 mtm180 -68.19 139.3 56.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.553 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 31.7 ttp180 -102.33 -70.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.77 98.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.64 ' CE1' ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -135.65 173.9 11.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.434 ' HB3' ' N ' ' A' ' 85' ' ' THR . 1.9 pt-20 -129.27 72.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 47' ' ' CYS . . . -71.03 151.72 49.29 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.621 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 13.9 p90 -99.52 134.59 42.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.601 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 31.1 mt -37.71 -61.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.601 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.548 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 47.7 m95 -50.95 -97.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 108.056 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 151.13 173.76 21.39 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.434 ' N ' ' HB3' ' A' ' 74' ' ' GLU . 4.1 m -60.55 70.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.438 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.569 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.4 OUTLIER -109.21 164.98 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.461 ' O ' ' HB ' ' A' ' 90' ' ' THR . 1.3 p30 -70.91 106.75 3.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 71' ' ' ARG . 1.2 m -45.26 -39.42 6.47 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.46 1.1 . . . . 0.0 108.232 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 113' ' ' ASN . 0.5 OUTLIER -50.64 -29.87 12.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 8.9 m -74.77 -22.12 58.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -120.76 14.69 11.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 37.05 61.38 0.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 77.8 m -54.4 -174.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.253 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.482 ' NE2' ' CD1' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -150.06 146.46 26.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.474 HG22 ' NE2' ' A' ' 36' ' ' GLN . 3.8 t -123.23 112.47 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.471 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -136.54 -175.91 14.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.443 1.09 . . . . 0.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.488 ' CD1' HG23 ' A' ' 34' ' ' VAL . 1.1 mm? -100.53 144.69 29.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 0.733 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -128.41 162.74 26.43 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 53.81 82.21 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.5 Cg_endo -74.98 116.89 4.72 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.561 1.822 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 0.3 OUTLIER 158.83 -172.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 179.928 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.471 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . 165.64 -95.31 0.12 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 9.9 p -156.84 124.02 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 0.799 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.2 99.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.63 HG22 ' CE2' ' A' ' 112' ' ' PHE . 6.1 mm -88.24 143.62 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.371 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -120.65 87.96 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.911 -179.921 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.63 ' CE2' HG22 ' A' ' 110' ' ' ILE . 10.0 m-85 -70.55 4.7 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' A' ' 111' ' ' SER . 6.4 t30 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 97' ' ' LEU . . . -99.61 166.07 11.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.508 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 79.0 p -154.25 152.37 30.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.562 ' CG1' HG23 ' A' ' 19' ' ' VAL . 3.8 t -100.93 136.56 31.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.581 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -37.17 -60.4 0.83 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.581 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.04 -161.58 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.466 1.772 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.46 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 1.1 m 166.54 24.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.997 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.565 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 11.9 t 170.89 155.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.429 ' C ' HD22 ' A' ' 13' ' ' LEU . . . 58.49 38.28 90.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.446 1.091 . . . . 0.0 111.031 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.496 ' CD1' HG22 ' A' ' 110' ' ' ILE . 6.8 mt -97.31 -146.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.97 154.35 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.509 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 36.5 t0 -53.73 97.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.48 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 102.05 37.49 3.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.402 ' CB ' ' HB3' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -71.61 86.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 110.393 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 11.4 t -77.63 102.65 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.562 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -128.77 177.61 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -75.35 144.18 42.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.52 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 94.8 t -142.44 143.38 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.14 155.59 46.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.602 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 104.05 177.26 25.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.102 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.602 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 155.1 -154.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.33 -1.13 6.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 5.4 tp 49.38 65.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 7.1 tp60 -90.59 -91.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 163.49 100.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.405 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 44.2 34.58 3.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.464 ' CB ' ' HG2' ' A' ' 27' ' ' GLN . 57.6 m -107.73 161.51 14.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.424 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.25 148.19 52.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.436 ' O ' HD12 ' A' ' 97' ' ' LEU . 4.6 m-85 -150.1 78.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.59 138.84 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.556 ' CG2' ' HB3' ' A' ' 53' ' ' SER . 79.1 t -64.19 163.13 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.604 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -112.12 -92.85 2.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.445 1.091 . . . . 0.0 111.036 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.687 ' HG2' ' CE2' ' A' ' 73' ' ' PHE . 6.5 tp60 77.34 99.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 110.358 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.526 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 62.4 m -125.3 -176.14 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.504 ' CB ' ' HB2' ' A' ' 93' ' ' CYS . . . -153.92 100.44 2.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.424 ' NE1' ' O ' ' A' ' 41' ' ' ASP . 52.5 t90 -72.68 139.25 47.16 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 41' ' ' ASP . 91.9 t -122.91 -104.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.471 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 1.1 m-20 -54.5 -169.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -78.24 -36.44 47.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.346 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.9 29.22 6.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 41' ' ' ASP . 40.5 t -130.08 125.71 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 tt -136.04 104.15 5.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.075 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.44 ' CB ' ' HD1' ' A' ' 83' ' ' TRP . . . -81.97 94.72 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.526 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -83.2 160.08 21.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.348 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.679 ' CG ' ' CD2' ' A' ' 73' ' ' PHE . 2.1 t30 -118.66 75.74 13.11 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.453 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.98 22.73 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.543 1.812 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -123.29 3.78 9.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 4.8 p-10 -37.55 -44.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.538 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER 77.73 -22.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.556 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 4.0 m -69.86 154.7 41.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.957 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.422 ' N ' HG22 ' A' ' 34' ' ' VAL . 57.5 p -156.69 151.87 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.549 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -138.36 166.55 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.523 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.1 m -110.79 149.73 30.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.429 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 61' ' ' GLY . . . -81.52 160.19 23.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.6 p30 -121.13 119.93 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.1 -91.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.605 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.3 t-20 -36.11 -44.35 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.532 ' O ' ' HB1' ' A' ' 57' ' ' ALA . . . 122.98 8.5 6.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 3.3 m -84.22 130.96 34.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -66.17 157.22 31.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.372 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.406 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 5.2 p -156.59 108.3 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.972 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.458 ' CG2' ' HB ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER 179.02 173.4 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 65' ' ' THR . 49.0 m -87.79 118.75 27.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 0.0 110.063 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.52 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 0.2 OUTLIER -96.91 147.8 23.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.581 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 1.1 t -91.33 86.13 6.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.471 ' CG1' HG22 ' A' ' 110' ' ' ILE . 19.3 t -65.63 69.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.694 ' HG3' ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -72.82 135.71 45.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.357 179.926 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.515 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 11.1 ttm180 -85.98 -68.98 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.592 1.183 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.28 99.93 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.694 ' CE1' ' HG3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -133.16 157.73 44.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.523 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 3.5 pm0 -97.16 80.03 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.408 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -70.55 149.05 46.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 9.5 m-85 -120.36 130.73 54.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.611 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 11.0 mp -37.94 -67.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.397 1.06 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.553 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.44 ' HD1' ' CB ' ' A' ' 46' ' ' ALA . 50.4 m95 -83.52 -52.98 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.523 ' HA2' ' CB ' ' A' ' 74' ' ' GLU . . . 84.22 140.65 4.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.549 ' O ' ' CG2' ' A' ' 85' ' ' THR . 1.4 t 33.28 43.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 0.75 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -82.83 137.05 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' THR . 1.5 m-20 -73.62 102.4 3.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 1.241 ' SG ' ' SG ' ' A' ' 93' ' ' CYS . 1.7 m -48.92 -38.82 23.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.437 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -63.32 -30.22 71.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 110.374 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 87' ' ' ASP . 21.0 m -73.21 -29.52 62.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.522 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -119.64 24.72 10.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.183 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 31.31 54.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 1.241 ' SG ' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -52.51 -176.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 108.303 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -144.77 163.23 34.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.441 ' CG2' ' NE2' ' A' ' 36' ' ' GLN . 59.4 t -129.47 107.97 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -121.39 -163.2 11.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.549 ' CD1' ' CG1' ' A' ' 55' ' ' VAL . 3.0 mm? -118.79 166.64 12.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.4 146.29 28.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.95 179.913 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 1.5 p30 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.514 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 80.16 -162.84 46.57 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 164.73 32.85 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.01 -81.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.521 ' C ' ' CG2' ' A' ' 108' ' ' VAL . . . 154.03 -159.35 28.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.042 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.521 ' CG2' ' C ' ' A' ' 107' ' ' GLY . 2.9 t 86.72 74.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' A' ' 94' ' ' GLN . . . -69.26 105.05 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.496 HG22 ' CD1' ' A' ' 13' ' ' LEU . 3.4 mt -98.9 119.53 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.565 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -82.43 100.24 9.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.625 ' CE1' ' HB3' ' A' ' 88' ' ' CYS . 51.1 m-85 -80.45 12.66 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.437 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -90.61 175.79 6.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.491 ' HA ' ' CG2' ' A' ' 108' ' ' VAL . 45.6 p -152.14 149.74 29.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.525 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -129.29 146.31 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.486 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -43.81 -56.29 7.61 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.532 ' HB2' ' CD2' ' A' ' 13' ' ' LEU . 18.4 Cg_endo -74.94 -157.05 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.557 1.82 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.49 ' O ' HG21 ' A' ' 110' ' ' ILE . 2.6 p -158.47 -27.03 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.46 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 63.0 p -165.39 175.56 9.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.039 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 56.52 33.79 62.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.457 1.098 . . . . 0.0 111.057 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.549 ' CD1' ' CG1' ' A' ' 69' ' ' VAL . 4.6 mt -67.68 -142.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.303 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -161.06 157.27 25.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.979 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.481 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 33.6 t70 -51.94 91.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 90.54 44.89 4.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.517 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -64.01 77.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.563 0.802 . . . . 0.0 110.397 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 8.5 t -67.86 98.13 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' A' ' 17' ' ' THR . 4.0 m -131.59 177.61 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -69.38 136.54 51.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.478 ' CG2' HG12 ' A' ' 7' ' ' VAL . 38.6 t -138.81 137.68 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -138.59 162.9 33.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.684 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 87.15 -176.12 46.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.684 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 148.52 -144.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 0.795 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.447 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -66.63 -0.31 8.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.565 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER 49.49 51.87 15.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 0.74 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.446 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 58.2 tp60 -65.42 -99.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' A' ' 59' ' ' ALA . . . 168.71 88.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 41.14 47.57 4.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.63 154.28 42.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 110.445 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.73 146.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.592 ' CD1' ' HB3' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -153.19 80.45 1.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.939 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 98' ' ' SER . 2.9 t70 -57.17 130.23 45.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.538 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 37.4 t -66.31 141.87 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.32 145.49 14.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.138 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -131.73 119.06 20.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.461 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 4.8 m -127.11 174.26 9.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 108.318 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -150.8 166.74 29.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -90.34 150.58 21.84 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.565 HG12 ' CZ2' ' A' ' 83' ' ' TRP . 2.1 t -119.53 -143.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -115.13 138.5 50.83 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.513 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER 83.94 20.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.63 1.42 90.16 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.459 ' CG2' HG22 ' A' ' 42' ' ' THR . 13.1 t -65.84 148.54 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.737 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.14 127.33 48.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' CD1' ' A' ' 83' ' ' TRP . . . -108.53 112.01 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.461 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -88.57 160.02 17.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 8.4 t-20 -112.68 94.36 28.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 42.49 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.576 1.83 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -131.54 0.54 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.507 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -47.5 -57.69 5.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.463 ' O ' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.57 -56.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 -180.0 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.538 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.0 m -36.01 156.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.962 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.48 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 24.1 p -159.19 145.84 16.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.472 HG23 ' CB ' ' A' ' 65' ' ' THR . 2.0 p -149.69 -160.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.4 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -141.83 159.35 42.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.37 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -82.2 178.05 8.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.9 p30 -131.42 119.85 22.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.94 -88.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.658 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.9 m120 -35.93 -45.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.565 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 124.33 5.6 7.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.483 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -87.77 139.53 30.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 110.009 -180.0 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.575 ' CB ' ' CD2' ' A' ' 97' ' ' LEU . . . -73.39 170.37 15.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.416 ' O ' ' HB ' ' A' ' 65' ' ' THR . 6.1 p -169.28 102.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.041 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.514 ' CG2' ' CD1' ' A' ' 67' ' ' LEU . 1.3 t -178.37 173.69 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.361 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 42.8 m -84.67 105.74 15.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.039 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.514 ' CD1' ' CG2' ' A' ' 65' ' ' THR . 6.7 mp -100.09 151.56 21.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.652 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -90.32 94.95 9.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.359 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.549 ' CG1' ' CD1' ' A' ' 13' ' ' LEU . 2.9 t -69.66 62.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.652 ' NE ' ' O ' ' A' ' 68' ' ' THR . 1.7 mtm180 -38.3 157.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.524 ' CG ' ' HB2' ' A' ' 112' ' ' PHE . 1.3 ttt180 -111.88 -64.3 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 13.3 p -119.28 158.57 25.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.431 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 2.9 p90 168.23 -168.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.656 ' HA ' ' H ' ' A' ' 85' ' ' THR . 1.2 pm0 -97.5 106.36 18.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.363 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -80.58 169.27 52.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.403 1.064 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -141.79 138.96 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 3.7 mm? -54.61 -63.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.565 ' CZ2' HG12 ' A' ' 40' ' ' VAL . 69.8 t-105 -169.27 177.43 4.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 108.047 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 59.1 -76.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.656 ' H ' ' HA ' ' A' ' 74' ' ' GLU . 12.9 t 37.54 29.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 0.717 . . . . 0.0 110.389 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.537 ' CG1' ' N ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 179.42 -164.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.537 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 1.8 m-20 -45.03 122.38 3.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.54 ' SG ' ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -93.58 -29.17 15.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 108.325 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.577 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 10.4 t -48.43 -33.62 9.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 0.0 110.443 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -26.23 66.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -102.56 17.99 22.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 35.53 61.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.23 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 2.7 m -64.3 172.06 2.73 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 108.25 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.466 ' HG3' ' CB ' ' A' ' 106' ' ' GLU . 7.3 pm0 -140.52 159.02 43.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.361 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.426 ' HA ' ' HG2' ' A' ' 36' ' ' GLN . 14.3 p -129.36 104.4 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -126.48 164.38 20.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.592 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.3 mm? -86.52 136.61 33.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.497 ' HB3' ' CA ' ' A' ' 104' ' ' GLY . 0.1 OUTLIER -139.55 149.78 44.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.927 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 98' ' ' SER . 9.9 t-20 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.497 ' CA ' ' HB3' ' A' ' 98' ' ' SER . . . 170.36 64.07 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -74.98 105.18 2.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.555 1.819 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.466 ' CB ' ' HG3' ' A' ' 94' ' ' GLN . 2.3 mt-10 38.14 -102.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.48 -80.45 0.34 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' A' ' 6' ' ' THR . 3.8 p -147.89 106.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 109.316 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.428 ' CA ' ' HB3' ' A' ' 94' ' ' GLN . . . -87.94 117.77 27.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.532 HG22 ' CD1' ' A' ' 13' ' ' LEU . 7.7 mt -126.0 157.32 36.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER -91.67 103.49 16.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.934 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.577 ' O ' ' CB ' ' A' ' 89' ' ' THR . 1.0 OUTLIER -85.21 136.35 33.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.447 ' C ' ' NE ' ' A' ' 71' ' ' ARG . 1.6 m120 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' A' ' 97' ' ' LEU . . . -106.92 158.0 17.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.464 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 6.9 p -151.63 160.52 43.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.561 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 6.6 t -113.14 135.4 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.607 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -36.48 -62.06 0.56 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.37 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.607 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.02 -157.99 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 111' ' ' SER . 0.1 OUTLIER -164.26 38.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.997 179.948 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.429 ' CB ' ' HG ' ' A' ' 13' ' ' LEU . 16.7 p -154.84 103.28 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.656 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -72.39 4.08 21.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.656 ' C ' ' O ' ' A' ' 12' ' ' GLY . 8.9 mt -15.65 -59.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 0.724 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -74.63 123.57 25.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.965 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.528 ' HA ' ' HG2' ' A' ' 71' ' ' ARG . 10.8 p30 -62.98 94.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.587 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 98.14 36.86 4.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.516 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 89.8 m -58.16 83.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.425 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.8 t -70.03 77.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 66' ' ' SER . 14.2 m -103.14 173.08 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.186 -179.908 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -61.28 145.2 52.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.235 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.511 HG22 ' CG1' ' A' ' 7' ' ' VAL . 27.3 t -143.78 146.09 21.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.142 . . . . 0.0 109.254 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.434 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -149.23 154.56 39.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.372 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 100.97 175.58 29.22 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 157.15 -155.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.226 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.66 -0.59 8.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.56 ' N ' ' HH ' ' A' ' 32' ' ' TYR . 3.8 tp 49.72 65.76 1.32 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 0.788 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -89.56 -90.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.29 -179.968 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 165.05 97.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 40.07 34.0 0.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.84 154.38 19.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.729 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.61 146.2 10.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.385 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.56 ' HH ' ' N ' ' A' ' 26' ' ' LEU . 3.0 m-85 -150.77 81.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 111.009 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.414 ' O ' ' OG ' ' A' ' 98' ' ' SER . 16.1 t70 -58.01 132.35 53.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.571 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 59.7 t -71.81 147.31 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -128.52 -171.62 13.03 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.527 ' CG ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 171.67 109.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.243 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.563 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 14.9 m -119.36 170.62 8.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -134.75 176.12 8.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 44' ' ' VAL . 1.8 t90 -120.56 147.22 45.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 95.9 t -133.65 -108.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.44 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -57.64 178.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 m -69.24 88.71 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 110.382 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.24 -14.4 36.6 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.445 1.091 . . . . 0.0 111.068 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.53 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 24.5 t -72.66 140.2 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.724 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 77' ' ' LEU . 1.6 tp -131.51 135.87 47.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -114.3 92.26 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.549 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -69.82 155.81 39.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 108.36 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 30.9 t-20 -112.62 87.7 10.18 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.398 1.061 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.98 35.0 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -135.59 5.96 3.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.411 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 1.9 m-20 -45.88 -46.69 15.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.69 -56.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.571 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.3 m -32.82 147.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.498 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 60.8 p -158.57 148.49 19.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.587 ' CG2' ' CG2' ' A' ' 65' ' ' THR . 1.2 p -151.16 -162.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.218 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 12.8 m -138.18 170.96 15.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 61' ' ' GLY . . . -89.4 177.13 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.622 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.1 p30 -132.6 120.59 22.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.241 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.07 -90.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.622 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.3 m-20 -35.44 -46.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.556 ' O ' ' HB1' ' A' ' 57' ' ' ALA . . . 125.09 7.15 6.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.7 OUTLIER -87.86 141.36 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 110.02 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.49 ' CB ' ' HG ' ' A' ' 97' ' ' LEU . . . -75.19 165.42 25.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.473 ' O ' ' HB ' ' A' ' 65' ' ' THR . 3.5 p -164.41 107.23 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.098 . . . . 0.0 109.966 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.587 ' CG2' ' CG2' ' A' ' 55' ' ' VAL . 8.9 t 179.26 -179.35 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.363 -179.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 4.5 m -91.0 123.76 34.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.022 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 4.2 mt -113.18 138.46 49.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.601 ' CG2' ' CZ ' ' A' ' 70' ' ' ARG . 8.9 t -82.9 109.53 17.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.445 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.661 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 2.1 t -80.68 65.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.601 ' CZ ' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -61.57 124.47 20.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 110.288 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.58 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -83.31 -75.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.541 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 64.8 p -84.64 120.18 26.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CD2' ' HG3' ' A' ' 70' ' ' ARG . 8.4 p90 -163.65 179.27 7.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.38 128.43 33.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.445 ' HA3' ' CB ' ' A' ' 46' ' ' ALA . . . -116.21 159.57 13.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 45.4 t80 -133.12 132.05 41.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.633 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 8.3 mt -40.43 -59.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.633 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.429 ' HB2' ' CD2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.429 ' NE1' HG22 ' A' ' 40' ' ' VAL . 7.7 m95 -63.28 -86.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 108.002 -179.936 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 102.66 141.67 11.73 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.543 ' O ' ' CG2' ' A' ' 85' ' ' THR . 0.7 OUTLIER 26.57 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 0.719 . . . . 0.0 110.432 -179.937 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.79 133.5 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.78 105.83 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -68.11 -26.45 65.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 108.324 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.518 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -53.56 -18.29 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.68 -19.78 48.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.435 1.084 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -135.55 24.08 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 32.27 90.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.656 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 1.1 p -63.22 -172.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 1.3 pm0 -142.4 146.95 35.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.476 HG11 ' CG2' ' A' ' 7' ' ' VAL . 12.1 p -122.62 126.29 73.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.498 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -142.57 175.34 22.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.49 ' HG ' ' CB ' ' A' ' 63' ' ' ALA . 4.6 mm? -96.08 147.81 23.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -131.82 152.91 50.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.979 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.52 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 63.4 58.03 12.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.52 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.3 Cg_endo -74.99 -172.71 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.443 1.76 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.62 71.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.498 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . -71.18 -84.69 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 7.9 p -175.4 134.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.77 115.32 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 109.254 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.58 ' CG2' ' N ' ' A' ' 12' ' ' GLY . 26.2 mt -112.61 150.26 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.505 ' N ' HG21 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -81.3 84.16 6.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.661 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 95.6 m-85 -78.45 137.53 38.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.536 ' ND2' ' CZ ' ' A' ' 71' ' ' ARG . 2.5 t30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.516 ' CG2' ' O ' ' A' ' 106' ' ' GLU . 2.0 m . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.446 ' HB3' ' CD2' ' A' ' 97' ' ' LEU . . . -86.45 143.32 27.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.526 ' HA ' ' CG1' ' A' ' 108' ' ' VAL . 15.3 p -149.03 154.48 39.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.556 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -107.69 131.71 57.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.46 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.23 -54.78 1.1 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.556 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.98 163.13 35.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.806 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.558 ' C ' HG23 ' A' ' 110' ' ' ILE . 93.6 p -125.73 2.79 7.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.463 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 99.7 p -164.0 160.84 22.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.51 ' C ' ' H ' ' A' ' 14' ' ' SER . . . 47.94 46.81 26.05 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.592 HD13 ' CG ' ' A' ' 112' ' ' PHE . 0.2 OUTLIER -66.23 1.86 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.544 ' O ' ' O ' ' A' ' 13' ' ' LEU . 1.2 t 56.3 134.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 109.986 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.548 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -68.32 109.13 3.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.01 31.31 29.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.56 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -102.07 106.52 17.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.404 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.487 ' CG1' ' HB2' ' A' ' 66' ' ' SER . 2.1 t -79.59 102.6 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -108.83 168.93 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 120.22 11.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.439 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 73.7 t -124.03 138.2 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.34 159.89 40.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.683 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 96.05 -175.03 31.94 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.459 1.1 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.683 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 146.71 -157.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 0.807 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.87 -3.45 4.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.513 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 48.26 65.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.486 ' HG2' ' CG2' ' A' ' 30' ' ' THR . 6.9 tp60 -72.63 -104.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.411 1.069 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 167.17 55.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.28 71.93 1.29 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.486 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -160.0 160.88 33.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 0.74 . . . . 0.0 110.384 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.75 153.55 16.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.428 ' HB3' ' CD1' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -149.19 80.05 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 111.033 179.904 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -54.91 127.91 30.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.588 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 38.0 t -68.8 149.51 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -127.21 -158.43 9.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 163.19 117.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 0.755 . . . . 0.0 110.368 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.455 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 17.8 m -125.17 -176.88 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 108.295 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.485 ' CB ' ' SG ' ' A' ' 88' ' ' CYS . . . -147.94 145.44 28.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.505 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 10.2 m95 -91.26 122.72 34.13 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.541 HG22 ' CD1' ' A' ' 83' ' ' TRP . 51.4 t -86.0 -114.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER -91.21 40.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 67.92 -62.94 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -68.84 -5.63 47.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 77' ' ' LEU . 45.1 t -130.04 134.73 62.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 0.806 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.06 132.85 42.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' HB3' ' A' ' 83' ' ' TRP . . . -118.94 127.98 53.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.455 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -93.25 163.84 13.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 108.297 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.521 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 6.7 t-20 -113.04 92.83 22.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.94 40.87 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -137.59 5.85 2.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.222 -179.881 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.513 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -41.12 -50.42 3.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.55 -60.76 0.38 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.588 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.4 m -33.38 148.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 109.928 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.414 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 47.8 t -153.91 141.58 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.583 ' CG2' ' CG2' ' A' ' 65' ' ' THR . 1.2 p -143.84 -157.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 1.8 m -145.74 169.71 17.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.427 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.478 ' N ' ' CG2' ' A' ' 56' ' ' THR . . . -81.1 177.66 8.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.707 ' O ' ' C ' ' A' ' 59' ' ' ALA . 55.5 p30 -133.47 132.33 40.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -8.23 78.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.688 ' N ' ' O ' ' A' ' 58' ' ' ASP . 8.8 t30 150.75 -37.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.513 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 120.27 -7.9 11.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.966 179.901 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -75.77 133.23 40.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 0.734 . . . . 0.0 109.948 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -79.24 160.0 27.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.472 ' O ' ' HB ' ' A' ' 65' ' ' THR . 89.7 p -165.55 114.75 1.02 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 109.929 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.583 ' CG2' ' CG2' ' A' ' 55' ' ' VAL . 10.1 t 179.85 -141.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.437 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.487 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 9.5 p -129.85 120.17 24.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.497 ' HG ' ' CG2' ' A' ' 34' ' ' VAL . 4.9 mp -115.94 138.11 51.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.535 HG21 ' CZ ' ' A' ' 70' ' ' ARG . 3.8 t -80.85 101.55 9.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.624 HG13 ' CE2' ' A' ' 112' ' ' PHE . 2.3 t -68.96 60.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.584 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 0.2 OUTLIER -43.35 129.95 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.572 ' O ' ' CE2' ' A' ' 73' ' ' PHE . 7.5 tmm_? -99.79 -70.56 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.258 -179.93 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.521 ' CB ' ' N ' ' A' ' 87' ' ' ASP . 90.8 p -89.72 131.38 35.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE2' ' O ' ' A' ' 71' ' ' ARG . 20.8 p90 -172.13 -169.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.473 ' HA ' ' HA3' ' A' ' 84' ' ' GLY . 3.2 pt-20 -127.39 74.16 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.665 ' H ' ' HA3' ' A' ' 84' ' ' GLY . . . -62.33 -162.48 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -159.39 151.25 20.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 0.73 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.621 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 6.2 mt -67.69 -43.62 79.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.237 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.621 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 3.6 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.541 ' CD1' HG22 ' A' ' 40' ' ' VAL . 20.7 t-105 -173.64 -177.27 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 107.959 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.665 ' HA3' ' H ' ' A' ' 75' ' ' GLY . . . 111.97 -57.14 0.44 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.542 ' O ' HG12 ' A' ' 86' ' ' VAL . 13.5 t 30.88 68.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 0.809 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.611 ' CG1' ' N ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER 48.29 -149.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.611 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -24.06 121.72 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.578 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -109.31 -15.94 14.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 108.227 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 12.3 t -45.99 -23.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -75.55 -23.78 56.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.426 179.953 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.578 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -101.22 -13.02 18.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . 80.04 90.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -82.0 161.59 22.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 108.299 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 14.5 pm0 -140.58 143.23 35.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.468 HG23 ' CG ' ' A' ' 36' ' ' GLN . 2.6 t -114.23 118.08 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.533 ' CA ' ' CA ' ' A' ' 107' ' ' GLY . . . -129.27 175.95 18.68 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.547 1.154 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.465 ' CG ' ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -102.11 156.21 17.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.344 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -133.06 150.24 52.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.463 ' HD2' ' ND2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.463 ' ND2' ' HD2' ' A' ' 99' ' ' ASP . 14.7 m-20 . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.73 160.61 37.2 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.613 1.195 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.415 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.95 -93.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.537 1.809 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.516 ' O ' ' CG2' ' A' ' 4' ' ' THR . 2.3 mt-10 60.0 44.5 13.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.533 ' CA ' ' CA ' ' A' ' 96' ' ' GLY . . . -68.38 -103.33 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.526 ' CG1' ' HA ' ' A' ' 6' ' ' THR . 3.7 p -163.29 111.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.67 97.65 1.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.558 HG23 ' C ' ' A' ' 10' ' ' SER . 24.5 mt -110.62 169.47 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.463 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -87.56 113.78 23.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.006 179.949 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.624 ' CE2' HG13 ' A' ' 69' ' ' VAL . 4.4 m-85 -94.6 125.81 39.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.975 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.49 ' HB1' ' CD2' ' A' ' 97' ' ' LEU . . . -79.03 141.69 37.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.491 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 7.4 p -144.8 154.73 42.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 110.407 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.549 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 53.5 t -110.09 123.77 66.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.707 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -35.29 -67.94 0.2 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 0.0 110.324 -179.972 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.707 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.0 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.438 1.757 . . . . 0.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 p -162.49 32.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 111' ' ' SER . 26.5 p -137.97 77.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.918 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.651 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -66.91 -0.98 9.88 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 179.938 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.651 ' C ' ' O ' ' A' ' 12' ' ' GLY . 1.6 mt -17.81 -56.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -66.6 115.72 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.546 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 39.7 t0 -55.16 96.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 18' ' ' VAL . . . 101.17 37.72 3.51 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.461 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -60.19 80.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.79 . . . . 0.0 110.384 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 7.0 t -68.72 92.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.516 HG22 ' CG1' ' A' ' 7' ' ' VAL . 1.8 m -115.43 172.93 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -73.41 139.16 45.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 6' ' ' THR . 91.7 t -135.33 139.78 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -139.17 155.45 47.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.7 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 103.72 -175.45 23.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.7 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 146.49 -159.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.54 -3.92 3.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.545 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 46.81 68.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.336 -179.942 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 12.8 mm-40 -80.6 -100.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 158.92 57.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.57 67.55 0.89 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.0 m -153.14 167.94 27.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.413 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.38 152.91 32.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.541 ' OH ' ' CG ' ' A' ' 27' ' ' GLN . 15.8 m-85 -147.91 77.93 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.2 130.4 38.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.517 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 10.9 t -66.74 152.82 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.409 ' HA2' ' OD1' ' A' ' 51' ' ' ASP . . . -142.53 168.36 25.88 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.518 ' CG ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -164.88 120.5 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.307 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.441 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 11.4 m -131.96 178.86 6.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.5 ' CB ' ' SG ' ' A' ' 88' ' ' CYS . . . -145.35 113.91 6.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.45 ' HB2' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -88.85 134.18 34.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.586 1.179 . . . . 0.0 107.99 -179.972 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.447 ' HB ' ' O ' ' A' ' 44' ' ' VAL . 43.7 t -115.82 -115.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 43' ' ' GLY . 1.3 m-20 -75.26 57.07 0.85 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.442 ' C ' ' H ' ' A' ' 44' ' ' VAL . 1.2 m 58.99 -77.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -77.99 33.82 1.7 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.447 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 62.2 t -147.22 64.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.497 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 5.3 tt -111.8 107.2 16.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -88.64 122.98 32.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.521 ' HB2' ' CG ' ' A' ' 78' ' ' PHE . 1.1 m -90.69 156.18 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.615 ' OD1' ' CD1' ' A' ' 73' ' ' PHE . 10.9 t30 -115.55 86.71 15.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.645 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.95 37.54 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -124.76 -2.27 7.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.511 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -40.43 -51.82 2.81 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.17 -53.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.107 . . . . 0.0 111.037 -179.945 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.517 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.1 m -35.99 153.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 t -154.13 144.46 22.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.546 ' CG1' HD13 ' A' ' 97' ' ' LEU . 1.8 p -142.85 167.14 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.497 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.1 m -121.43 153.63 37.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 61' ' ' GLY . . . -59.85 173.87 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.706 ' O ' ' C ' ' A' ' 59' ' ' ALA . 46.7 p30 -135.17 128.48 32.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.706 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -3.57 74.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.692 ' N ' ' O ' ' A' ' 58' ' ' ASP . 12.2 t30 156.42 -39.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.545 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 122.77 -8.18 9.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.3 t -78.68 131.47 36.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 0.803 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -78.9 156.73 28.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.221 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.3 p -152.41 115.71 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.525 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.5 OUTLIER 177.91 167.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.463 ' N ' HG21 ' A' ' 65' ' ' THR . 22.5 p -86.95 121.47 29.46 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.4 1.062 . . . . 0.0 110.019 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.497 ' CD1' HG23 ' A' ' 65' ' ' THR . 8.0 mp -105.39 146.53 29.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.463 HG21 ' NE ' ' A' ' 70' ' ' ARG . 9.1 t -86.24 95.82 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.686 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 19.2 t -71.53 64.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.633 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 4.1 mtm180 -48.4 142.97 5.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.554 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -88.83 -58.02 2.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 88.1 p -126.92 157.42 39.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.653 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 31.8 p90 176.66 -165.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.548 ' HG3' ' CE1' ' A' ' 76' ' ' PHE . 4.9 pm0 -83.95 110.69 18.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.11 121.01 5.89 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.597 1.186 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.645 ' CD1' ' HD2' ' A' ' 49' ' ' PRO . 22.8 m-85 -97.73 121.06 39.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.795 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.579 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.3 mt -25.29 -78.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 47' ' ' CYS . 11.9 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.184 . . . . 0.0 111.027 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.497 ' N ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.546 ' CD2' HG11 ' A' ' 86' ' ' VAL . 18.2 m95 -114.72 -82.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 108.011 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 74' ' ' GLU . . . 87.26 -33.98 3.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.445 ' O ' ' CG2' ' A' ' 85' ' ' THR . 0.9 OUTLIER -163.93 84.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 110.385 -179.952 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.546 HG11 ' CD2' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -152.4 178.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.497 ' HA ' ' CB ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -83.77 144.07 29.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.653 ' SG ' ' CZ ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -96.78 -24.48 15.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 108.283 -179.936 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.46 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 13.9 t -63.03 -26.37 68.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.098 . . . . 0.0 110.34 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.09 -19.92 50.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -112.3 25.56 11.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 37.04 64.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.631 ' HB3' ' CE1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -50.49 178.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.318 -179.94 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 17.1 pm0 -159.6 147.07 16.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 110.24 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.518 ' CG2' ' CG ' ' A' ' 36' ' ' GLN . 22.1 t -118.44 121.36 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.23 -171.12 12.47 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.546 HD13 ' CG1' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -105.48 150.88 24.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 0.747 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -131.28 110.32 11.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 99' ' ' ASP . 1.4 p30 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 130.62 -165.63 22.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.95 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.506 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.4 Cg_endo -74.94 107.74 2.55 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.797 . . . . 0.0 111.044 179.92 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.6 OUTLIER 179.38 36.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -79.86 172.46 54.85 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.509 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 1.4 p -97.17 110.58 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.381 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.0 116.84 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.514 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 32.5 mt -118.51 151.27 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.373 179.921 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.473 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -84.08 93.33 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.943 -179.92 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.686 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 71.3 m-85 -85.75 14.99 5.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.455 ' N ' ' OG1' ' A' ' 89' ' ' THR . 10.9 t30 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.502 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 3.1 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.531 ' CB ' ' HA ' ' A' ' 24' ' ' ALA . . . -71.62 127.35 32.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 5' ' ' ALA . 66.9 p -154.43 153.4 31.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.902 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.649 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.0 t -112.49 135.05 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 7' ' ' VAL . 0.8 OUTLIER -32.59 -53.23 0.6 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 -179.961 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.649 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.05 -149.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.542 1.812 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.403 ' H ' ' HB2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER 175.61 -23.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.454 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 88.5 p -172.05 165.81 6.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.935 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.94 35.94 92.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.513 ' CD2' ' HB2' ' A' ' 9' ' ' PRO . 3.9 mt -92.88 -148.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -156.18 152.03 27.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.541 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 31.3 t0 -53.77 108.47 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.42 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 89.03 36.01 7.9 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.525 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -71.54 82.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 110.404 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.5 t -65.15 90.81 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.509 HG21 ' CD ' ' A' ' 9' ' ' PRO . 1.4 m -112.43 -171.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -100.71 117.38 34.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.524 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 4.1 t -103.57 145.64 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.368 179.913 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.82 159.69 41.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.725 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 84.03 -166.22 42.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.725 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 142.6 -129.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.19 3.03 67.74 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 41.55 67.36 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 0.788 . . . . 0.0 109.323 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.513 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 9.1 mm-40 -87.0 -100.19 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 165.36 83.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.51 28.34 73.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.8 m -103.64 154.7 19.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.396 0.704 . . . . 0.0 110.395 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 99' ' ' ASP . . . -63.21 159.38 17.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.513 ' OH ' ' CG ' ' A' ' 27' ' ' GLN . 13.0 m-85 -156.64 75.76 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 111.07 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -53.37 142.2 22.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.565 ' CG2' ' HB3' ' A' ' 53' ' ' SER . 4.0 t -67.35 148.62 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -116.97 -89.2 1.42 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.556 1.16 . . . . 0.0 111.065 179.891 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.565 ' OE1' ' NE ' ' A' ' 70' ' ' ARG . 1.5 tp60 70.45 104.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.528 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 20.7 m -130.94 177.14 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.269 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' A' ' 93' ' ' CYS . . . -144.69 123.14 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.6 129.45 37.98 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.531 HG21 ' CD1' ' A' ' 83' ' ' TRP . 81.8 t -112.57 -104.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.423 ' CB ' HG22 ' A' ' 44' ' ' VAL . 1.8 t0 -59.35 -165.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -70.95 -48.96 50.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.14 32.2 5.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.423 HG22 ' CB ' ' A' ' 41' ' ' ASP . 23.9 t -127.28 133.23 68.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.596 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -138.51 106.84 5.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -73.3 101.54 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.622 ' C ' ' HD3' ' A' ' 49' ' ' PRO . 0.5 OUTLIER -80.54 163.47 23.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 108.266 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.661 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 31.5 t-20 -115.63 70.87 3.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.622 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.98 8.45 2.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.552 1.817 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.645 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . . . -99.81 -5.22 28.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.551 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 3.0 p-10 -54.24 -51.61 63.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.645 ' CE1' ' HA ' ' A' ' 50' ' ' ALA . 12.2 m-85 69.14 -8.49 0.69 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.565 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 3.8 m -65.17 158.43 26.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 78.7 p -149.74 153.26 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.497 HG13 ' CB ' ' A' ' 32' ' ' TYR . 13.0 p -145.46 170.78 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.81 149.93 52.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.465 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.51 176.28 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.695 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.9 p-10 -135.44 134.88 40.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.695 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.4 79.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.675 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.9 t30 150.95 -34.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.464 ' HA3' ' C ' ' A' ' 27' ' ' GLN . . . 115.88 -3.3 21.14 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -82.81 127.51 33.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.035 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -62.79 165.34 6.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.472 ' O ' ' HB ' ' A' ' 65' ' ' THR . 85.8 p -169.94 107.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 66' ' ' SER . 0.7 OUTLIER 178.98 -165.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.438 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.483 ' N ' ' CG2' ' A' ' 65' ' ' THR . 93.2 p -101.77 134.91 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.065 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.483 ' CD2' HD21 ' A' ' 97' ' ' LEU . 2.4 mp -125.0 137.33 54.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.604 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -80.35 89.36 5.55 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.476 1.11 . . . . 0.0 110.487 179.92 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.48 ' HB ' ' CB ' ' A' ' 17' ' ' THR . 89.5 t -62.74 69.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.604 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -73.41 122.14 21.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.541 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -84.93 -79.31 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -76.8 100.63 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.661 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 3.0 p90 -144.04 147.77 34.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 1.8 pt-20 -75.4 104.9 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.48 161.21 29.74 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.502 ' O ' ' C ' ' A' ' 77' ' ' LEU . 5.8 m-85 -106.72 129.2 54.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 0.759 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 1.6 mm? -33.06 -68.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.596 ' CZ ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' TRP . 17.2 ttp180 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.531 ' CD1' HG21 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -40.79 -84.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 108.025 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.538 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 137.06 114.17 1.29 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.565 ' O ' ' CG2' ' A' ' 85' ' ' THR . 12.4 t 27.07 77.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 0.804 . . . . 0.0 110.363 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -91.71 119.18 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.479 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 8.8 m-20 -71.56 105.19 3.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.621 ' HB3' ' CE1' ' A' ' 112' ' ' PHE . 2.4 m -53.19 -57.69 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.31 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.416 ' CG2' ' NE ' ' A' ' 71' ' ' ARG . 8.9 t -50.45 -28.48 8.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.479 ' HB ' ' CB ' ' A' ' 87' ' ' ASP . 52.5 m -79.78 -23.48 42.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.566 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -126.26 29.21 5.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.566 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 26.27 52.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.612 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -51.33 -179.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 108.282 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.518 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 6.2 pm0 -135.93 152.53 51.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.421 HG21 ' NE2' ' A' ' 36' ' ' GLN . 2.3 t -126.09 113.28 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.55 155.19 26.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.493 ' CD2' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -106.71 139.06 41.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 0.793 . . . . 0.0 109.343 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 33' ' ' ASP . 1.0 OUTLIER -141.53 158.9 43.25 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.576 1.172 . . . . 0.0 110.004 -179.905 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.506 ' HD2' ' HG3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 t30 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.482 ' O ' ' OG ' ' A' ' 98' ' ' SER . . . -156.17 -91.91 0.09 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.536 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -74.88 -161.14 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.6 tp10 89.14 26.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 106' ' ' GLU . . . -57.9 -153.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.518 ' N ' ' HB2' ' A' ' 94' ' ' GLN . 2.2 p -132.47 125.5 53.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.59 0.818 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.04 105.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.678 ' CG2' ' CE2' ' A' ' 112' ' ' PHE . 10.1 mt -99.17 136.81 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.22 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.454 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -92.82 83.85 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.173 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.678 ' CE2' ' CG2' ' A' ' 110' ' ' ILE . 0.9 OUTLIER -76.08 121.02 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 -179.97 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 -179.979 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.496 ' O ' ' CG2' ' A' ' 108' ' ' VAL . . . -102.52 167.12 10.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.496 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 6.4 p -152.59 157.3 40.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.549 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 4.6 t -95.06 122.23 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.581 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -29.01 -60.76 0.23 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.581 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.93 -84.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 3.0 t 85.69 29.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.61 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 23.4 p 172.67 151.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.39 44.08 97.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.605 ' CD1' ' CG2' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -111.32 -152.33 0.5 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 17' ' ' THR . 4.6 t -152.98 163.06 40.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.064 179.928 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.525 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 2.6 p-10 -58.6 112.33 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.42 34.42 14.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.485 ' CG2' ' HB ' ' A' ' 69' ' ' VAL . 3.4 t -83.88 93.29 7.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 110.404 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.4 t -78.6 91.51 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.549 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 5.7 m -108.45 170.95 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -65.93 140.91 58.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.498 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 92.5 t -141.8 141.6 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.441 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -140.6 158.62 43.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.631 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 105.59 174.03 23.94 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.631 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 153.21 -162.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 0.801 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.53 -4.33 3.85 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.571 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER 50.59 62.11 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 0.742 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.456 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -90.14 -88.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 166.69 87.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 62.37 10.76 30.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 55.2 m -73.83 164.07 27.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 0.786 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.34 146.53 34.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.578 ' CD1' HD22 ' A' ' 97' ' ' LEU . 2.7 m-85 -145.11 77.96 1.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.443 ' O ' ' OG ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -44.67 129.33 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.555 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 28.3 t -69.66 138.74 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.415 ' HA2' ' OD1' ' A' ' 51' ' ' ASP . . . -112.31 -176.59 19.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.537 ' CB ' ' NH1' ' A' ' 70' ' ' ARG . 2.0 tp60 176.49 103.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.523 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 34.6 m -132.47 -179.1 5.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.276 -179.94 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -141.73 85.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -73.27 121.48 20.43 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.926 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.469 HG21 ' CA ' ' A' ' 91' ' ' ALA . 35.5 t -117.56 -117.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.91 175.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.5 m -66.1 90.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.41 -9.46 41.86 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.452 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 21.9 t -90.46 66.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 4.4 tt -108.28 122.48 47.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.563 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -100.26 100.68 11.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.676 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -80.7 152.34 28.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 108.293 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.535 ' ND2' ' CD1' ' A' ' 73' ' ' PHE . 6.5 t-20 -113.48 89.83 16.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.382 179.906 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.57 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 18.1 Cg_endo -75.1 44.03 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.42 3.04 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 53' ' ' SER . 4.0 p30 -45.65 -62.38 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.11 -47.6 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.985 179.94 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.555 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.1 m -38.61 155.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.934 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 p -146.32 140.36 26.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.475 ' CG2' ' HB2' ' A' ' 63' ' ' ALA . 2.7 p -127.3 153.23 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.452 ' N ' HG23 ' A' ' 55' ' ' VAL . 2.5 m -112.02 151.9 28.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.388 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.445 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -80.21 173.66 12.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.634 ' O ' ' N ' ' A' ' 60' ' ' ASN . 9.4 p30 -132.78 120.72 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.23 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.534 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.75 -89.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.634 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.6 m-20 -36.7 -46.94 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.571 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 130.11 -2.48 5.89 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.5 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 28.9 t -76.07 137.73 40.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 0.812 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -74.45 157.95 34.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.3 p -160.15 105.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.481 ' CG2' HD11 ' A' ' 67' ' ' LEU . 1.6 t -176.62 173.69 1.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 19.9 m -88.52 122.54 32.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.501 ' CD2' HG21 ' A' ' 34' ' ' VAL . 11.0 mp -112.34 142.95 44.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.235 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.673 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 1.4 t -88.96 106.11 18.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.594 HG11 ' CZ ' ' A' ' 112' ' ' PHE . 1.3 t -76.63 60.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.673 ' NE ' ' O ' ' A' ' 68' ' ' THR . 2.3 mtm180 -42.55 132.51 3.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.539 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 7.1 tmm_? -100.09 -75.86 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.464 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -83.32 122.86 29.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 88' ' ' CYS . 8.6 p90 -169.76 -168.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 2.7 pm0 -108.7 123.83 49.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' GLY . . . -125.54 149.96 17.29 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.676 ' CZ ' ' CB ' ' A' ' 47' ' ' CYS . 35.9 p90 -107.31 131.83 53.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.733 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 1.2 mt -52.05 -41.16 62.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.733 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.563 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -168.66 -41.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 108.003 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -92.81 64.37 2.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.637 ' O ' ' CG2' ' A' ' 85' ' ' THR . 1.3 t -103.3 51.09 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 0.787 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -178.24 -156.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.248 179.938 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.556 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.6 OUTLIER -54.42 101.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 20.9 p -57.09 -27.89 62.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 108.389 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 112' ' ' PHE . 4.0 t -51.35 -21.45 2.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.374 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -83.11 -17.37 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 179.958 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.507 ' O ' ' O ' ' A' ' 92' ' ' ALA . . . -121.69 28.67 7.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.507 ' O ' ' O ' ' A' ' 91' ' ' ALA . . . 44.49 100.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.67 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -93.2 162.8 13.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 8.4 pt20 -152.61 150.17 29.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.422 ' O ' ' HB ' ' A' ' 108' ' ' VAL . 66.1 t -128.1 111.28 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -127.91 172.03 19.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.578 HD22 ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -79.81 137.34 36.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.35 -179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -129.04 128.8 44.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.906 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.222 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.0 t30 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 76.05 -146.91 34.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.77 17.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.591 1.837 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 97' ' ' LEU . 17.1 tp10 -117.89 -71.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.478 ' O ' ' HB ' ' A' ' 108' ' ' VAL . . . 138.74 -148.45 19.97 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 5' ' ' ALA . 17.6 t 77.7 70.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.34 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.48 107.87 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.605 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 3.8 mt -108.04 148.84 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.61 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -97.48 102.19 13.89 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.67 ' CD1' ' SG ' ' A' ' 93' ' ' CYS . 3.4 m-85 -91.79 130.87 37.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.18 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.9 t30 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.973 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.617 HG23 ' HE2' ' A' ' 106' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.552 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . -105.37 173.25 6.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.508 ' HA ' ' CG2' ' A' ' 108' ' ' VAL . 19.9 p -153.0 156.4 38.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.439 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.617 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 2.6 t -93.25 135.04 29.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.529 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.54 -58.35 1.03 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.53 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.0 -168.46 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.11 19.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.05 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.548 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 51.9 p -177.57 64.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 110.041 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.496 ' HA3' ' CG2' ' A' ' 17' ' ' THR . . . -49.8 -28.49 11.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.548 ' CD1' ' O ' ' A' ' 11' ' ' SER . 0.6 OUTLIER 46.63 20.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 0.8 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.488 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -139.92 114.64 9.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.495 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 10.0 p-10 -60.55 95.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.549 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 108.49 31.22 3.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.436 1.085 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' HB ' ' A' ' 69' ' ' VAL . 0.5 OUTLIER -74.86 98.11 3.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 0.743 . . . . 0.0 110.457 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 7.4 t -83.25 113.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.617 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 3.7 m -136.36 174.24 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 153.16 44.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 6' ' ' THR . 22.8 t -150.08 146.53 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.21 158.31 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.655 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 96.98 -176.3 31.79 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.655 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 150.24 -156.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.4 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -66.52 -0.64 8.53 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.502 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.7 tp 46.36 72.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 10.4 tp60 -82.02 -98.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 162.25 51.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.79 72.74 1.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.492 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 3.7 t -156.43 163.42 39.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 110.349 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.26 153.94 39.61 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.437 ' HB3' ' CD1' ' A' ' 97' ' ' LEU . 5.1 m-85 -148.73 78.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.1 119.81 7.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.08 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.57 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 34.6 t -56.59 160.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.429 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -148.88 156.38 26.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.506 ' HG2' ' CG1' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -149.06 120.66 8.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.493 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 9.5 m -130.0 172.9 11.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 108.273 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.09 154.85 47.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.52 137.61 37.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.051 179.933 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.491 ' CG1' HG11 ' A' ' 44' ' ' VAL . 85.4 t -109.49 -105.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.413 ' O ' ' HB ' ' A' ' 42' ' ' THR . 0.9 OUTLIER -166.01 129.1 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.553 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 1.1 m 66.56 91.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 42' ' ' THR . . . 30.92 43.54 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.553 ' CG2' ' O ' ' A' ' 42' ' ' THR . 55.6 t -127.17 133.15 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 77' ' ' LEU . 3.9 tp -134.27 126.86 30.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -86.27 93.29 9.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.493 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.0 OUTLIER -79.79 147.86 31.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 -179.967 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.725 ' CG ' ' CD2' ' A' ' 73' ' ' PHE . 20.9 t-20 -113.39 95.14 34.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HD3' ' CD2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -75.04 34.84 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.445 1.761 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.576 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -124.54 0.08 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.7 OUTLIER -39.59 -42.26 1.15 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.96 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 21.4 m-85 62.78 -59.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 111.057 -179.923 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.3 m -31.7 146.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.409 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 66.2 p -158.33 139.02 12.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.546 ' CG2' ' CG2' ' A' ' 65' ' ' THR . 1.3 p -139.68 -157.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.226 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.464 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 1.0 OUTLIER -147.49 160.84 42.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.945 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 61' ' ' GLY . . . -69.45 -179.64 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.708 ' O ' ' N ' ' A' ' 60' ' ' ASN . 53.1 p30 -137.24 132.89 34.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.189 . . . . 0.0 109.237 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.696 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -8.76 77.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.938 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.708 ' N ' ' O ' ' A' ' 58' ' ' ASP . 10.0 t30 151.99 -35.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.356 -179.955 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.502 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 118.07 -8.06 14.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.501 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -77.2 137.59 38.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 0.0 110.045 179.92 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -83.13 159.2 22.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.452 ' O ' ' HB ' ' A' ' 65' ' ' THR . 90.5 p -160.2 107.97 1.65 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.949 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.546 ' CG2' ' CG2' ' A' ' 55' ' ' VAL . 6.9 t -179.8 167.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.374 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 66.8 p -90.81 116.14 28.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.058 179.922 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.485 HD12 ' CG1' ' A' ' 34' ' ' VAL . 5.9 mt -101.1 159.82 14.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.53 ' CG2' ' CZ ' ' A' ' 70' ' ' ARG . 1.9 t -101.11 92.34 4.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.435 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.58 ' CG1' ' CZ ' ' A' ' 112' ' ' PHE . 3.0 t -68.96 67.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.614 ' HD2' ' CE1' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -65.52 141.72 58.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.645 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 9.3 tmm_? -92.26 -68.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.42 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 22.8 t -63.69 103.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.96 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.725 ' CD2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -139.02 161.46 37.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.959 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.503 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -104.96 76.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.57 147.56 37.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.591 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 22.5 p90 -116.07 130.01 56.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 0.762 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.599 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 4.3 mp -40.08 -66.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.616 1.198 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.7 ttm105 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.554 ' CE3' HG21 ' A' ' 86' ' ' VAL . 37.4 m95 -48.33 -87.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.524 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 99.87 132.48 7.74 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.524 ' C ' ' O ' ' A' ' 84' ' ' GLY . 3.1 t 28.74 44.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 0.755 . . . . 0.0 110.42 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.554 HG21 ' CE3' ' A' ' 83' ' ' TRP . 8.9 p -89.78 140.41 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.433 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -73.47 101.87 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.765 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -52.49 -24.94 8.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 108.291 -179.969 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.8 t -69.89 -20.4 63.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -84.9 -27.03 26.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -119.94 18.63 12.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 34.64 61.95 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.563 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 1.9 p -52.08 -176.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.529 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 4.0 pm0 -143.95 159.72 42.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.243 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.506 ' CG1' ' HG2' ' A' ' 36' ' ' GLN . 2.5 t -130.0 119.2 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -136.62 175.22 21.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.917 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -86.55 156.24 20.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 0.732 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.48 ' OG ' ' CB ' ' A' ' 103' ' ' ASN . 0.4 OUTLIER -138.92 123.01 17.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 179.992 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.48 ' CB ' ' OG ' ' A' ' 98' ' ' SER . 2.8 p30 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 131.96 -158.87 23.07 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.06 111.28 3.29 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.617 ' HE2' HG23 ' A' ' 4' ' ' THR . 0.5 OUTLIER 173.31 40.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 179.973 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.416 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -86.3 172.33 45.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.529 ' N ' ' HB2' ' A' ' 94' ' ' GLN . 21.8 t -97.34 110.5 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 0.725 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.77 107.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 11' ' ' SER . 7.1 mt -113.88 155.08 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.485 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 1.8 m -92.54 100.9 13.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.765 ' CD1' ' SG ' ' A' ' 88' ' ' CYS . 4.8 m-85 -88.27 18.26 4.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 54.2 t30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 179.989 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.547 0.213 . . . . 0.0 110.428 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.413 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . -91.63 174.06 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.913 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.506 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 69.9 p -149.37 152.13 35.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 110.358 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.571 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 4.8 t -111.58 110.01 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.677 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -24.02 -65.84 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.989 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.677 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.0 -89.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.549 1.815 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 4.4 t 85.86 21.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 110.085 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.473 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 51.4 p -173.2 147.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 110.011 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.03 35.38 87.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.438 1.086 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.503 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 29.2 mt -92.59 -142.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 0.794 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.48 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.3 OUTLIER -159.54 170.47 21.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.014 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.506 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 12.3 t70 -60.68 107.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.492 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 78.27 37.35 28.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.928 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.503 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 8.2 m -76.88 90.52 3.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.569 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.4 t -66.71 84.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.407 1.067 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 66' ' ' SER . 1.3 m -94.4 166.33 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 65' ' ' THR . 7.6 mtpt -67.6 141.11 56.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 6' ' ' THR . 98.2 t -139.6 139.83 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.9 157.15 47.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.738 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 90.0 -166.66 32.58 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.564 1.165 . . . . 0.0 111.089 -179.932 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.738 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 141.97 -142.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 0.726 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.427 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -70.49 0.31 26.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER 42.82 65.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 18.7 tp60 -75.4 -99.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 162.11 54.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.99 71.95 1.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -157.93 163.02 38.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 110.364 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.26 152.71 36.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.416 ' HB3' ' CD2' ' A' ' 97' ' ' LEU . 2.1 m-85 -148.37 78.93 1.44 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.545 1.153 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -55.12 128.74 35.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.541 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 21.2 t -70.46 149.31 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -129.69 146.75 17.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.103 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 2.9 tp60 -134.6 112.6 10.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.77 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.572 ' C ' ' CE1' ' A' ' 73' ' ' PHE . 28.3 m -129.56 -175.36 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 108.315 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.628 ' CB ' ' CE2' ' A' ' 73' ' ' PHE . . . -153.03 124.49 7.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.485 ' CE3' ' O ' ' A' ' 39' ' ' TRP . 10.7 t90 -101.42 108.91 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.958 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 41' ' ' ASP . 46.3 t -88.93 -115.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 40' ' ' VAL . 0.8 OUTLIER -56.31 -160.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.1 m -68.27 -51.18 47.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.34 39.95 2.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.495 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 46.9 t -126.79 52.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.737 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 1.3 tt -101.25 113.16 25.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.417 ' HB3' ' N ' ' A' ' 76' ' ' PHE . . . -102.5 157.32 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.482 ' O ' ' CA ' ' A' ' 75' ' ' GLY . 0.8 OUTLIER -118.12 152.06 36.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 108.259 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 15.0 t-20 -109.8 97.12 27.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.94 39.85 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.461 1.769 . . . . 0.0 111.064 179.943 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.575 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -133.71 5.0 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.57 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -40.35 -45.9 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 23.0 m-85 62.77 -59.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.055 -179.938 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.57 ' N ' ' O ' ' A' ' 51' ' ' ASP . 1.7 m -32.98 148.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.44 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 54.8 p -159.09 142.86 15.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.577 ' CG2' ' CG2' ' A' ' 65' ' ' THR . 1.2 p -142.18 -158.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.452 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 1.5 m -144.66 166.81 24.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 56' ' ' THR . . . -80.07 -177.77 6.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.689 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.8 p30 -137.51 135.63 36.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.689 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -11.76 80.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.689 ' N ' ' O ' ' A' ' 58' ' ' ASP . 8.3 t30 149.55 -34.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.483 ' O ' ' HA ' ' A' ' 26' ' ' LEU . . . 115.67 -6.37 20.44 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -78.25 131.0 36.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.921 -179.902 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -76.6 163.23 27.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.484 ' O ' ' HB ' ' A' ' 65' ' ' THR . 18.0 p -164.44 114.72 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.577 ' CG2' ' CG2' ' A' ' 55' ' ' VAL . 5.0 t 178.03 -132.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.533 ' N ' ' OG1' ' A' ' 65' ' ' THR . 2.6 m -146.22 136.84 24.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.569 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 22.3 mt -114.59 134.56 54.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.59 ' CG2' ' CZ ' ' A' ' 70' ' ' ARG . 1.2 t -74.46 98.27 3.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.677 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 72.5 t -69.22 68.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.239 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.59 ' CZ ' ' CG2' ' A' ' 68' ' ' THR . 1.3 mtm180 -61.42 119.88 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 73' ' ' PHE . 15.8 ttp180 -73.35 -64.21 1.03 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 92.7 p -57.91 79.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.033 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.628 ' CE2' ' CB ' ' A' ' 38' ' ' ALA . 10.3 t80 -52.6 160.11 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 73' ' ' PHE . 53.4 mt-10 -160.02 65.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -126.76 178.62 16.73 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' A' ' 78' ' ' PHE . 14.5 p90 -126.03 150.69 47.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.609 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 10.2 mt -36.73 -60.29 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.609 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.524 ' CE2' ' HG ' ' A' ' 77' ' ' LEU . 34.9 m95 -92.75 -63.63 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.945 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.6 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 74.47 158.31 5.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.6 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER 19.52 79.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 0.801 . . . . 0.0 110.394 -179.971 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -116.19 99.42 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 88' ' ' CYS . 5.1 m-20 -47.56 109.38 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -53.87 -168.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.35 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.555 ' CG2' ' C ' ' A' ' 88' ' ' CYS . 0.7 OUTLIER 67.65 -4.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.959 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.468 ' H ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -108.93 -30.86 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -123.11 4.4 9.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 93' ' ' CYS . . . 49.76 60.59 3.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 3.8 m -43.93 164.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 108.325 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.465 ' HB2' ' C ' ' A' ' 107' ' ' GLY . 0.7 OUTLIER -126.53 150.84 48.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.17 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.456 HG11 ' CB ' ' A' ' 67' ' ' LEU . 90.9 t -135.79 98.0 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -118.43 -169.02 14.45 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.434 1.084 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.494 ' CD1' HD12 ' A' ' 67' ' ' LEU . 2.7 mp -115.11 156.49 25.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -165.87 155.0 11.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.052 179.955 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -127.14 -76.07 0.22 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.562 1.163 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -167.71 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.454 1.766 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -165.66 -77.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.175 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.465 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . 146.21 -143.4 11.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.422 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 2.9 t 80.62 77.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.32 107.85 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.38 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.502 ' CG2' HG11 ' A' ' 69' ' ' VAL . 2.4 mp -99.03 153.78 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.473 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -108.05 118.68 37.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.007 -179.98 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.677 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 14.1 m-85 -90.73 122.57 33.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 t30 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.947 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.531 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 54.6 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.56 ' CB ' ' HA ' ' A' ' 24' ' ' ALA . . . -69.94 117.49 11.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -146.61 156.61 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.444 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.555 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.1 t -115.61 149.35 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.497 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -39.56 -56.79 2.74 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 179.965 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.555 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.95 -156.66 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.561 1.821 . . . . 0.0 110.969 -179.942 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 39.5 t -161.94 -23.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.563 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 1.4 p -169.66 168.11 9.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 64.35 31.43 80.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.528 ' CD2' ' HB2' ' A' ' 9' ' ' PRO . 5.7 mt -66.27 -142.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 0.74 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.2 t -166.23 158.16 13.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.957 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.452 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 37.5 t0 -53.04 90.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 94.87 44.05 3.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.513 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -64.25 77.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.4 -179.954 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 12.2 t -71.73 91.56 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.462 HG23 ' CD ' ' A' ' 9' ' ' PRO . 3.7 m -118.82 -175.29 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 65' ' ' THR . 12.8 tttt -87.18 124.28 33.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.439 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 11.4 t -108.03 149.22 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.35 158.16 44.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.733 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 75.75 -158.39 49.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.733 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 140.73 -128.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LEU . . . -77.97 4.16 58.7 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.499 ' N ' ' OH ' ' A' ' 32' ' ' TYR . 3.0 tp 39.89 68.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.471 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 35.9 mt-30 -83.79 -110.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.413 ' N ' ' HA2' ' A' ' 61' ' ' GLY . . . 174.4 67.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.17 44.66 11.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.13 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.6 m -122.78 162.41 22.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 0.753 . . . . 0.0 110.374 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.98 156.18 28.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -142.63 73.68 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 -179.969 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.4 OUTLIER -59.98 114.32 2.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.865 ' HB ' ' HD2' ' A' ' 51' ' ' ASP . 94.3 t -48.81 155.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -135.03 -85.74 0.22 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.381 1.05 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.551 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER 72.66 108.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 110.297 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.562 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 27.0 m -123.54 -178.42 4.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 108.325 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.38 100.07 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -79.34 129.58 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 107.982 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.535 HG23 ' CE2' ' A' ' 83' ' ' TRP . 4.9 t -116.02 -36.63 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -167.99 -175.71 2.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.4 m -61.32 90.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.403 ' O ' HD23 ' A' ' 77' ' ' LEU . . . 98.91 -5.91 59.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.158 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.458 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 2.9 t -95.83 43.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.466 0.745 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.9 tt -109.16 116.82 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.57 ' HB1' ' CD1' ' A' ' 83' ' ' TRP . . . -103.16 117.18 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.562 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.0 OUTLIER -72.53 167.59 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.256 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.595 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 8.0 t-20 -119.86 70.39 14.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.549 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.6 Cg_endo -74.89 27.44 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.069 179.937 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -103.49 -17.66 15.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.865 ' HD2' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -67.39 -62.7 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.57 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 1.3 t80 79.63 -27.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.592 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 66.8 m -33.84 155.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.933 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.486 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 28.2 p -160.04 147.81 16.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.906 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.622 HG12 ' N ' ' A' ' 56' ' ' THR . 1.6 p -145.15 -161.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.622 ' N ' HG12 ' A' ' 55' ' ' VAL . 1.8 m -138.27 159.67 41.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.567 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -75.62 -171.47 1.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 60' ' ' ASN . 57.0 p30 -144.57 137.31 26.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.657 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -15.67 83.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.669 ' N ' ' O ' ' A' ' 58' ' ' ASP . 5.5 t30 148.6 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 26' ' ' LEU . . . 114.41 -6.95 22.83 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.502 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 6.6 t -80.08 138.15 36.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 109.934 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.52 ' CB ' HD12 ' A' ' 97' ' ' LEU . . . -83.89 169.79 14.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 65' ' ' THR . 21.6 m -168.22 111.13 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.978 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 66' ' ' SER . 9.0 t -177.84 -144.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 110.36 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.504 ' N ' ' OG1' ' A' ' 65' ' ' THR . 50.2 m -134.12 123.06 23.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.505 HD11 ' CG2' ' A' ' 34' ' ' VAL . 5.6 mp -116.07 157.63 24.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.42 93.84 7.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.644 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 12.0 t -72.37 66.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.378 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.563 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -55.43 142.51 32.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.228 -179.863 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.581 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 3.4 tmm_? -99.17 -68.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.356 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.456 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 45.4 t -96.44 123.07 39.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.982 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.595 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 5.8 p90 -160.72 -175.85 5.2 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.46 ' HB3' ' N ' ' A' ' 85' ' ' THR . 1.4 pm0 -118.72 88.13 2.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.27 179.43 51.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -138.56 139.89 38.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.59 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 7.1 mp -75.27 -47.67 26.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 26.0 ttt180 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.57 ' CD1' ' HB1' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -56.89 -79.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.939 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 121.88 159.97 10.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.606 ' O ' ' CG2' ' A' ' 85' ' ' THR . 5.5 t -60.81 66.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.612 ' N ' ' O ' ' A' ' 84' ' ' GLY . 9.9 p -117.8 161.55 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.22 122.27 21.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -76.38 -28.4 56.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 108.255 -179.953 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 2.5 t -49.26 -21.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -21.26 46.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -122.56 16.14 10.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 35.76 78.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 -179.935 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 5.6 p -65.86 175.66 1.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 108.308 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 0.8 OUTLIER -126.92 139.24 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 179.951 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.486 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 1.1 p -121.51 121.49 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.66 171.02 37.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.52 HD12 ' CB ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -97.45 157.64 15.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.764 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 33' ' ' ASP . 47.7 t -153.36 164.13 38.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 75.2 68.35 1.56 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -74.89 132.86 16.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.419 1.747 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.4 mm-40 157.86 44.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 106' ' ' GLU . . . -47.05 -98.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.581 1.176 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 95' ' ' VAL . 10.6 p -168.27 109.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.45 100.4 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.439 HG23 ' CD1' ' A' ' 13' ' ' LEU . 6.3 mt -112.39 156.18 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.563 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 1.3 m -86.35 112.27 21.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.644 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 5.5 m-85 -90.28 129.87 36.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.2 t30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.988 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.445 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -86.42 148.93 25.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.509 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 11.1 p -150.32 155.38 39.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.563 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 4.0 t -106.34 132.6 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.579 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.72 -60.53 0.75 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.579 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -75.04 -159.44 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.549 1.815 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 p -158.55 25.19 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.959 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.55 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 69.9 p -170.61 56.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.058 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.683 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -46.6 -31.45 5.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.55 ' CD1' ' O ' ' A' ' 11' ' ' SER . 0.8 OUTLIER 52.87 -76.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.683 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -36.89 122.85 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.937 -179.897 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.515 ' HA ' ' HG2' ' A' ' 71' ' ' ARG . 7.1 p-10 -58.01 92.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.705 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 99.82 40.6 3.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.517 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 96.3 m -66.12 87.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.425 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.542 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.3 t -67.74 78.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.555 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.6 OUTLIER -100.47 165.28 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.365 179.93 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.4 143.94 52.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 6' ' ' THR . 98.2 t -146.28 142.0 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -141.7 157.52 44.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.705 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 101.82 -172.4 22.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.705 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 145.01 -157.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.72 -2.84 3.81 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.554 1.159 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 1.1 tp 47.91 67.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.397 0.704 . . . . 0.0 109.237 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 47.8 tp60 -84.77 -98.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 161.82 79.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.908 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.36 69.9 1.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.449 1.093 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -153.47 153.49 32.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 0.767 . . . . 0.0 110.406 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.23 150.77 10.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.456 ' HB3' ' CD1' ' A' ' 97' ' ' LEU . 2.9 m-85 -150.58 79.85 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' SER . 8.3 t70 -60.79 119.63 8.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.44 1.088 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.565 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 71.2 t -56.29 159.21 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.405 ' HA2' ' CG ' ' A' ' 51' ' ' ASP . . . -143.48 148.25 19.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -139.09 111.88 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.513 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 21.9 m -123.8 -179.46 4.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 108.294 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.5 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -145.75 101.93 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -72.84 132.19 43.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.457 HG11 ' N ' ' A' ' 41' ' ' ASP . 56.5 t -124.49 -111.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.472 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -59.97 -178.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.5 m -71.5 88.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 179.985 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.91 -10.06 40.49 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG1' HD12 ' A' ' 77' ' ' LEU . 7.5 t -90.45 86.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 6.3 tt -113.83 115.16 27.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.24 -179.936 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB1' ' CD1' ' A' ' 83' ' ' TRP . . . -82.85 97.81 8.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.513 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -81.87 142.78 32.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 108.235 -179.993 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.64 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 5.1 t-20 -110.1 96.84 27.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -75.01 35.16 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.77 . . . . 0.0 111.056 179.92 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -127.58 2.06 6.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -36.54 -38.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 13.3 m-85 62.26 -61.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.1 m -33.36 145.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 110.005 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.457 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 14.6 p -161.89 139.5 8.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.554 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 2.2 p -144.17 -154.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.452 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 1.0 OUTLIER -144.51 161.6 38.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -71.34 -179.71 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.702 ' O ' ' C ' ' A' ' 59' ' ' ALA . 55.9 p-10 -137.01 134.65 36.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.702 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.12 82.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.619 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 6.7 t30 146.08 -35.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.481 ' HA3' ' N ' ' A' ' 27' ' ' GLN . . . 117.04 -3.98 18.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.478 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -76.78 127.42 32.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 109.969 -179.993 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -78.19 158.64 28.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.4 p -153.62 113.43 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.554 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.05 169.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.925 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.555 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 7.6 m -94.18 125.85 39.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.542 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 3.4 mt -106.77 139.56 41.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.542 ' CG2' ' CZ ' ' A' ' 70' ' ' ARG . 1.3 t -82.65 103.86 12.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.663 HG12 ' CZ ' ' A' ' 112' ' ' PHE . 3.0 t -70.12 64.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.705 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 11.3 mtm180 -65.21 127.44 31.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.552 ' CG ' ' H ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -84.78 -76.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.226 -179.926 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.552 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 46.1 t -55.58 99.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.64 ' CE2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -137.89 164.04 29.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.98 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.46 ' HB3' ' N ' ' A' ' 85' ' ' THR . 0.3 OUTLIER -121.31 70.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.419 ' HA3' ' CB ' ' A' ' 46' ' ' ALA . . . -58.9 168.95 5.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.497 ' O ' ' C ' ' A' ' 77' ' ' LEU . 5.9 m-85 -118.6 130.61 55.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 2.3 mm? -33.04 -62.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.583 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.534 ' CD1' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -48.65 -81.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 108.027 179.959 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 163.33 146.59 4.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.46 ' N ' ' HB3' ' A' ' 74' ' ' GLU . 4.8 m -69.42 69.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.8 p -115.87 170.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.452 ' HB3' ' CG2' ' A' ' 89' ' ' THR . 2.8 m-20 -60.81 89.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 71' ' ' ARG . 13.9 p -49.45 -24.88 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 -179.921 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 112' ' ' PHE . 10.0 t -52.27 -27.02 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.346 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.56 -25.73 65.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -111.53 30.66 6.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 38.11 56.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.228 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.66 ' SG ' ' CG ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -42.64 162.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 108.324 179.984 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -135.73 151.14 49.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.931 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.485 ' CG1' HG21 ' A' ' 7' ' ' VAL . 9.7 p -132.94 117.59 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.477 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -132.34 -155.88 8.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -112.26 150.79 30.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 0.708 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -135.23 153.02 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.976 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.44 135.04 13.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.685 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.5 Cg_endo -75.0 -153.13 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.481 1.78 . . . . 0.0 111.017 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.685 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 7.7 tt0 103.89 150.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.477 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . -168.1 -82.13 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.942 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.492 ' CG1' ' HA ' ' A' ' 6' ' ' THR . 1.2 p 178.82 132.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 0.781 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.44 107.91 12.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.486 HD11 ' CG2' ' A' ' 7' ' ' VAL . 2.3 mp -107.58 159.45 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.449 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 0.8 OUTLIER -88.84 87.09 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.075 179.929 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.663 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 23.3 m-85 -72.27 171.1 12.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.534 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 4.5 t30 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.522 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.556 ' CB ' ' HA ' ' A' ' 24' ' ' ALA . . . -78.47 135.9 37.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.428 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 66.6 p -153.56 152.99 31.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.549 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.2 t -106.17 122.26 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.757 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -29.38 -70.43 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.757 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.98 -89.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 1.4 p 89.99 36.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 110.01 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.493 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 26.3 t -164.72 144.4 7.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.6 35.9 17.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.076 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.541 HD13 ' CG2' ' A' ' 69' ' ' VAL . 11.8 mt -87.04 -93.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 109.23 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.52 ' OG ' ' N ' ' A' ' 15' ' ' ASP . 2.0 t 51.94 -178.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.52 ' N ' ' OG ' ' A' ' 14' ' ' SER . 11.4 t0 52.18 29.75 6.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.425 ' HA2' ' N ' ' A' ' 70' ' ' ARG . . . 57.62 47.24 89.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.4 1.062 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.507 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.7 OUTLIER -61.96 93.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 110.385 -180.0 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 1.8 t -70.73 88.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.464 HG11 ' CG2' ' A' ' 17' ' ' THR . 0.8 OUTLIER -100.9 166.52 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.232 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -66.46 115.87 6.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.911 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 73.4 t -115.6 139.53 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.237 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.433 ' N ' HG11 ' A' ' 21' ' ' VAL . . . -135.01 164.77 26.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.68 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 85.22 -168.37 42.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.935 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.68 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 148.72 -133.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 0.0 109.349 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.43 2.13 58.77 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.118 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 1.9 tp 43.6 56.44 4.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.763 . . . . 0.0 109.233 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.469 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 7.3 mm-40 -85.25 -99.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 173.69 96.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.588 1.18 . . . . 0.0 109.23 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 43.27 40.05 4.4 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.7 m -111.3 153.95 25.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.37 145.95 13.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.454 ' OH ' ' CG ' ' A' ' 27' ' ' GLN . 3.5 m-85 -151.69 81.03 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 53' ' ' SER . 1.2 t70 -59.16 132.45 54.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.223 -179.944 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.598 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 20.8 t -65.15 151.94 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -131.86 -162.4 10.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.7 OUTLIER 162.24 112.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.469 0.747 . . . . 0.0 110.308 179.969 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 32.7 m -130.3 178.24 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 108.313 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.524 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -145.76 124.73 12.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.523 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -96.75 127.15 42.46 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.946 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.495 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 32.8 t -113.96 -27.88 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.43 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 0.7 OUTLIER 175.94 173.53 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.9 m -55.35 92.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.98 -12.64 45.33 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.495 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 2.2 t -95.83 39.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.246 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.516 ' CD1' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -96.52 98.41 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.95 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -87.61 111.54 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.425 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -84.93 162.31 19.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 108.238 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 35.2 t30 -115.53 86.97 16.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.188 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 41.57 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.531 1.806 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.72 5.58 2.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.498 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -38.37 -47.91 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 66.46 -59.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.97 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.598 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.2 m -37.1 156.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.945 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.528 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 59.9 p -167.25 145.89 4.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.925 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.538 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 2.2 p -151.3 -158.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 3.2 m -139.81 171.17 14.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -90.39 174.48 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.597 1.186 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.8 p30 -128.7 120.59 26.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.543 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.62 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.5 m-20 -34.73 -46.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.372 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.512 ' O ' ' HB2' ' A' ' 57' ' ' ALA . . . 125.06 6.96 6.15 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -86.23 135.63 33.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 0.802 . . . . 0.0 109.995 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -74.7 165.92 24.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.5 m -159.5 108.98 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.538 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.84 169.43 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.404 -179.992 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 4.4 m -86.92 124.86 33.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.582 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 10.3 mp -113.25 131.45 55.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.558 HG22 ' CZ ' ' A' ' 70' ' ' ARG . 3.9 t -77.73 97.69 5.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.426 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.596 HG12 ' CZ ' ' A' ' 112' ' ' PHE . 3.8 t -67.2 67.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.558 ' CZ ' HG22 ' A' ' 68' ' ' THR . 0.0 OUTLIER -58.0 132.75 54.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.942 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 29.9 ttp180 -91.76 -77.76 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.511 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 5.2 t -90.7 132.56 35.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 110.016 179.932 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 85' ' ' THR . 3.7 p90 -174.59 -163.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.689 ' HA ' ' CA ' ' A' ' 84' ' ' GLY . 2.4 mt-10 -99.38 141.52 32.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' O ' ' A' ' 83' ' ' TRP . . . -152.97 -178.68 27.83 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 179.956 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.617 ' CZ ' ' CB ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -153.92 142.65 20.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 111.035 179.931 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.53 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 7.0 mp -67.89 -47.8 67.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.3 t80 . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.617 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.499 ' O ' ' O ' ' A' ' 75' ' ' GLY . 6.4 t-105 -152.01 -172.81 4.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.689 ' CA ' ' HA ' ' A' ' 74' ' ' GLU . . . 119.25 -167.65 13.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.55 ' O ' ' CG2' ' A' ' 85' ' ' THR . 1.1 t 39.51 39.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 0.0 110.388 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.494 HG12 ' NE1' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -142.43 154.07 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.511 ' HA ' ' CB ' ' A' ' 72' ' ' SER . 24.2 p-10 -80.06 96.1 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 1.4 p -40.43 -31.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 108.293 -179.936 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.497 ' CG2' ' HB2' ' A' ' 87' ' ' ASP . 15.3 t -44.43 -25.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.512 1.132 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -67.82 -26.54 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.578 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -129.83 31.16 4.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.578 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 25.62 84.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.352 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.669 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 2.7 p -64.08 -172.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 108.297 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 4.7 pm0 -147.89 154.9 41.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.439 HG22 ' NE2' ' A' ' 36' ' ' GLN . 86.0 t -123.58 110.6 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.165 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 106' ' ' GLU . . . -128.28 167.9 20.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.458 1.099 . . . . 0.0 111.041 179.936 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.488 ' HB2' ' CB ' ' A' ' 24' ' ' ALA . 4.3 mm? -91.66 154.94 18.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.11 137.18 42.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.7 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 78.56 -175.69 54.73 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 148.81 36.21 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.558 1.82 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.475 ' CG ' ' HA3' ' A' ' 96' ' ' GLY . 44.7 mp0 -99.5 -78.6 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 134.91 43.4 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.541 1.151 . . . . 0.0 111.093 -179.931 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 94' ' ' GLN . 95.6 t -105.75 72.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.0 110.36 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.502 HG23 ' CD1' ' A' ' 13' ' ' LEU . 22.0 mt -110.58 150.96 12.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.493 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -89.18 104.79 17.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.071 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.669 ' CZ ' ' SG ' ' A' ' 93' ' ' CYS . 30.0 m-85 -95.19 126.93 40.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.072 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 32.8 t30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.995 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.464 -0.199 . . . . 0.0 110.464 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.468 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . . . -92.16 166.13 12.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.506 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 35.6 p -145.46 148.68 33.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.552 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.0 t -116.13 116.62 52.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.681 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -31.68 -65.88 0.2 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.982 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.681 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.01 -88.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.522 ' HB2' ' CG1' ' A' ' 110' ' ' ILE . 3.4 t 69.76 43.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.57 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 53.8 p -167.93 120.62 0.88 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.41 45.76 95.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.57 ' CD2' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -150.81 -110.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.776 ' CB ' ' CD1' ' A' ' 112' ' ' PHE . 0.6 OUTLIER 42.45 -143.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.99 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.524 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 28.3 t0 52.07 49.68 20.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.17 18.91 65.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.452 ' HB ' ' CA ' ' A' ' 14' ' ' SER . 2.4 m -86.35 111.2 20.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.613 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.4 t -85.01 95.78 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.44 HG11 ' CG ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -106.28 166.79 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.939 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -66.21 124.59 23.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.525 ' CG2' HG21 ' A' ' 7' ' ' VAL . 2.4 t -124.39 126.35 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.397 1.061 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.04 152.58 42.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.721 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 106.49 -171.53 17.49 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.097 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.721 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 141.99 -154.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 0.805 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.414 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -62.87 -3.62 6.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.579 1.174 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 35.5 tp 45.72 67.59 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 0.792 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 2.0 tp-100 -84.51 -105.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 164.55 69.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.63 67.11 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.075 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 m -155.36 164.98 38.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.376 -179.904 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.08 153.55 40.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 3.8 m-85 -147.21 78.43 1.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -48.42 127.62 13.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.888 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.541 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 70.4 t -70.26 149.42 10.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.494 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -126.71 -172.66 13.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.534 1.146 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.559 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 176.22 107.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.297 -179.964 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.543 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 13.0 m -120.33 174.43 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.611 ' CB ' ' SG ' ' A' ' 93' ' ' CYS . . . -118.91 124.38 46.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.449 ' N ' HE22 ' A' ' 94' ' ' GLN . 0.4 OUTLIER -93.25 101.88 14.15 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.98 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.525 HG13 ' CH2' ' A' ' 83' ' ' TRP . 59.3 t -87.25 -111.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.419 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.6 OUTLIER -92.07 33.94 1.04 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.66 -56.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.78 -15.61 58.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.407 1.067 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 6.2 t -124.24 120.51 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -130.5 106.33 8.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.554 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -85.13 98.19 10.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.543 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -76.34 152.96 36.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 179.942 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.681 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 45.9 t30 -113.66 91.67 21.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.527 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 18.0 Cg_endo -74.99 35.26 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -134.03 5.46 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -42.26 -45.64 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.485 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.2 OUTLIER 64.09 -56.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 51' ' ' ASP . 3.6 m -32.53 148.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.2 p -144.14 142.93 30.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.063 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.516 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 0.8 OUTLIER -135.81 177.97 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -138.74 153.81 48.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.452 ' CB ' ' HA2' ' A' ' 61' ' ' GLY . . . -70.48 171.72 9.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.709 ' O ' ' C ' ' A' ' 59' ' ' ALA . 49.9 p30 -132.22 129.84 40.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.604 1.19 . . . . 0.0 109.23 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.709 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -4.61 73.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.708 ' N ' ' O ' ' A' ' 58' ' ' ASP . 13.1 t30 156.34 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.474 ' HA3' ' C ' ' A' ' 27' ' ' GLN . . . 124.81 -10.75 7.92 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.492 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 48.2 t -75.93 132.81 40.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -81.1 164.74 22.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.358 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.45 ' O ' ' HB ' ' A' ' 65' ' ' THR . 20.3 p -167.99 111.53 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 -179.952 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.516 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.6 OUTLIER 177.49 172.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.997 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 77.5 p -85.0 124.07 31.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.613 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 21.3 mt -119.0 139.7 51.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.501 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -85.36 113.2 21.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.378 -179.979 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.539 HG11 ' CE1' ' A' ' 112' ' ' PHE . 2.0 t -87.51 61.72 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.54 ' HG2' ' OE1' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -48.4 127.05 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.24 -179.956 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.624 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 1.3 ttm180 -87.25 -76.24 0.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.4 t -74.15 107.06 6.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.056 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.681 ' CE2' ' HB2' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -151.37 -164.72 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.592 ' N ' ' CD2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -124.73 119.83 30.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.422 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -123.65 149.52 16.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.618 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 13.7 p90 -102.54 130.75 49.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 0.811 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.634 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 7.5 mp -43.0 -65.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 -179.913 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.554 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 39.7 m95 -73.2 -62.27 1.53 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 -180.0 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.538 ' HA2' ' CB ' ' A' ' 74' ' ' GLU . . . 82.18 139.31 3.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.543 ' O ' ' CG2' ' A' ' 85' ' ' THR . 1.4 t 29.91 41.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 84' ' ' GLY . 2.4 p -97.84 146.63 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 179.965 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' A' ' 90' ' ' THR . 2.6 p30 -79.24 114.64 18.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.942 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 5.1 m -65.03 -37.45 87.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.332 179.967 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.408 ' HB ' ' HB2' ' A' ' 112' ' ' PHE . 4.7 t -48.89 -25.76 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -78.72 -20.08 50.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.393 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.593 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -133.48 26.67 4.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.593 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 23.81 77.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.611 ' SG ' ' CB ' ' A' ' 38' ' ' ALA . 58.5 m -58.56 174.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 179.984 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 4.9 pm0 -135.02 157.36 47.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.447 HG21 ' CG ' ' A' ' 36' ' ' GLN . 7.3 p -131.13 107.95 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -122.22 165.5 15.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.436 1.085 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.47 HD13 ' CG1' ' A' ' 55' ' ' VAL . 1.3 mm? -88.57 151.16 22.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.4 t -146.78 123.93 11.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.574 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 1.3 p30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 126.44 -149.76 17.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -169.89 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.562 1.822 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 94' ' ' GLN . 2.3 mp0 -71.13 -141.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -131.53 -56.85 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.486 ' CG1' ' HA ' ' A' ' 6' ' ' THR . 5.9 p -169.51 150.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.445 ' N ' HG21 ' A' ' 108' ' ' VAL . . . -89.08 116.96 27.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.629 ' O ' ' CE1' ' A' ' 112' ' ' PHE . 1.5 mp -96.83 139.89 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.235 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -80.53 106.31 12.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.95 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.776 ' CD1' ' CB ' ' A' ' 14' ' ' SER . 0.8 OUTLIER -83.11 25.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 111.052 179.99 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.976 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.43 ' CB ' HD22 ' A' ' 97' ' ' LEU . . . -98.35 158.15 15.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.9 p -140.23 154.53 46.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.585 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.9 t -116.45 136.11 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.552 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.69 -59.32 0.75 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.411 179.973 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.585 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.09 -177.9 3.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.451 1.764 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.8 p -140.52 -21.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.948 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.534 ' HA ' ' O ' ' A' ' 111' ' ' SER . 82.5 p -176.24 174.21 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 70.73 25.2 76.12 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.061 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 112' ' ' PHE . 4.7 mt -84.6 -150.01 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.6 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 2.0 t -152.64 140.85 20.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.505 ' HB2' ' CG ' ' A' ' 71' ' ' ARG . 62.6 t0 -42.47 117.51 1.03 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.412 ' HA2' ' OG1' ' A' ' 68' ' ' THR . . . 85.56 31.65 21.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.584 ' HB ' ' CZ ' ' A' ' 112' ' ' PHE . 1.0 OUTLIER -77.16 96.08 4.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 110.328 -179.917 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.4 t -87.22 86.49 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.524 HG21 ' CG ' ' A' ' 9' ' ' PRO . 2.9 m -110.67 162.41 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -53.76 138.61 35.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 -179.958 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.491 HG22 ' CG2' ' A' ' 7' ' ' VAL . 46.2 t -141.65 121.37 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.98 150.32 42.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.964 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 109.31 173.57 21.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 179.956 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.563 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 158.36 -155.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.409 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -65.11 -1.65 7.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.627 ' N ' ' HH ' ' A' ' 32' ' ' TYR . 12.6 tp 52.47 67.03 1.05 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.421 0.718 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.519 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 9.2 mm-40 -92.3 -101.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 178.4 96.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 37.8 39.92 0.68 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.43 157.62 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.378 -179.95 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.35 147.1 8.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.627 ' HH ' ' N ' ' A' ' 26' ' ' LEU . 2.0 m-85 -151.32 82.07 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 98' ' ' SER . 1.8 t70 -59.16 127.87 34.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.546 ' CG2' ' HB3' ' A' ' 53' ' ' SER . 64.5 t -58.83 159.09 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.58 147.03 16.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.582 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -138.93 119.29 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.468 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 22.2 m -129.56 -178.18 4.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 108.319 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -147.77 123.98 10.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.508 ' C ' ' CD1' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -98.33 133.2 43.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 107.969 -179.996 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 41' ' ' ASP . 58.8 t -123.65 -111.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.473 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -62.4 179.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.578 1.174 . . . . 0.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.8 m -68.74 90.96 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.74 -5.88 51.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.554 1.158 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 25.1 t -91.75 70.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.761 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.518 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 2.7 tt -117.03 112.79 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.411 ' HB3' ' C ' ' A' ' 75' ' ' GLY . . . -92.01 133.07 36.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.468 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -96.94 154.74 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 108.288 179.988 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.668 ' CG ' ' CD2' ' A' ' 73' ' ' PHE . 1.9 t-20 -114.85 89.73 20.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 18.2 Cg_endo -75.09 42.07 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.56 1.821 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.32 2.55 3.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -40.63 -50.99 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.981 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 74.65 -58.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.996 -179.941 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.546 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 2.4 m -36.35 152.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.968 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.465 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 10.7 p -159.45 144.13 15.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 109.962 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.592 ' CG2' ' CG2' ' A' ' 65' ' ' THR . 2.1 p -147.05 -156.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 3.2 m -139.75 170.22 16.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -91.74 177.79 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.653 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.0 p30 -131.03 119.6 22.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.536 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.89 -88.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.923 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.653 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.1 m-20 -34.91 -46.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.516 ' O ' ' HB2' ' A' ' 57' ' ' ALA . . . 125.63 5.88 6.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 5.0 m -88.55 139.84 30.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.24 166.36 18.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' A' ' 65' ' ' THR . 9.0 p -165.24 99.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.592 ' CG2' ' CG2' ' A' ' 55' ' ' VAL . 12.2 t -177.39 165.27 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.49 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 13.1 m -84.23 109.08 17.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.536 ' CD2' HG21 ' A' ' 34' ' ' VAL . 17.1 mt -104.98 152.07 23.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.52 HG21 ' NH2' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -96.66 114.49 26.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.347 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.802 ' O ' ' CZ ' ' A' ' 112' ' ' PHE . 1.1 t -86.78 57.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.59 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 3.1 mtm180 -43.35 129.29 4.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.592 ' CG ' ' H ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -79.37 -75.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -180.0 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.592 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -58.56 100.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.984 -179.986 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.668 ' CD2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -137.86 152.3 48.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 179.992 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -87.31 98.3 11.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 179.958 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.411 ' C ' ' HB3' ' A' ' 46' ' ' ALA . . . -69.47 121.68 11.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.547 1.155 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.573 ' CD1' ' HD2' ' A' ' 49' ' ' PRO . 92.2 m-85 -102.71 123.51 46.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 110.998 -179.94 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.568 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.2 mt -25.5 -75.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.99 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' N ' HD22 ' A' ' 77' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.612 ' CZ3' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -99.0 -89.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.989 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 81.68 111.36 0.38 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.577 ' O ' ' CG2' ' A' ' 85' ' ' THR . 0.7 OUTLIER 31.61 86.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.412 -179.947 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.612 ' CG2' ' CZ3' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -139.5 169.26 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.03 119.58 30.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.589 ' HB3' ' HA ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -59.79 -46.39 89.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 108.263 -179.992 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 t -49.9 -23.02 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.437 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.06 -22.27 24.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.085 . . . . 0.0 110.383 -179.952 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -119.04 17.17 13.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.173 . . . . 0.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 36.9 50.45 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -50.77 -178.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 108.269 -179.961 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.455 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 13.4 pm0 -147.39 160.78 42.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 179.982 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.481 HG13 ' CG1' ' A' ' 69' ' ' VAL . 10.4 p -133.82 101.19 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.467 ' CA ' ' HA3' ' A' ' 107' ' ' GLY . . . -111.32 -164.75 18.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -105.67 153.95 21.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -139.29 153.74 47.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.98 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.361 179.908 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.97 65.29 3.64 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -167.25 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 69.31 165.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.467 ' HA3' ' CA ' ' A' ' 96' ' ' GLY . . . -178.83 -75.37 0.06 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.495 ' CG1' HG22 ' A' ' 7' ' ' VAL . 13.3 p -170.78 128.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 0.773 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -83.01 120.49 25.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.488 HG22 ' CD1' ' A' ' 13' ' ' LEU . 16.7 mt -115.66 147.97 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -111.59 124.49 52.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.965 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.802 ' CZ ' ' O ' ' A' ' 69' ' ' VAL . 3.1 m-85 -102.12 131.09 48.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.969 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 . . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.437 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -100.33 161.44 13.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.493 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 78.4 p -148.26 154.85 40.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.951 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.614 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 1.9 t -99.39 152.72 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.5 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -55.27 -56.53 27.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.477 179.957 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.97 161.7 38.41 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.483 1.78 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.512 ' C ' HG22 ' A' ' 110' ' ' ILE . 3.8 m -133.89 4.97 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 179.963 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 111' ' ' SER . 89.7 p -176.32 157.84 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 109.976 179.957 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 13' ' ' LEU . . . 65.87 38.17 94.03 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.447 1.092 . . . . 0.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.581 HD13 ' CE2' ' A' ' 112' ' ' PHE . 53.4 mt -61.39 -142.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.9 t -171.13 151.56 3.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.438 ' HA ' ' HG3' ' A' ' 71' ' ' ARG . 6.1 p-10 -56.35 88.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.068 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 89.45 43.9 5.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.502 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 2.2 t -74.9 89.23 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 0.778 . . . . 0.0 110.365 179.947 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.492 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.3 t -78.82 81.18 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.916 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.614 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 10.3 m -101.11 177.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' HG21 ' A' ' 21' ' ' VAL . 25.3 mttt -72.09 139.58 48.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.941 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 6' ' ' THR . 86.4 t -141.96 137.45 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -136.18 160.81 37.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.592 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 104.51 171.09 24.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.592 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 156.55 -157.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -64.46 -0.84 5.13 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.432 1.083 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.564 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER 49.83 55.65 9.08 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.485 0.756 . . . . 0.0 109.353 179.96 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.492 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 6.4 mm-40 -81.97 -98.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 175.08 87.95 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.968 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.08 16.08 12.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.2 m -83.74 152.02 24.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 0.734 . . . . 0.0 110.346 -179.956 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -58.63 145.71 38.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.576 ' CE2' ' HB1' ' A' ' 24' ' ' ALA . 0.9 OUTLIER -148.19 80.13 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.97 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -47.31 137.03 8.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.538 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 16.2 t -78.72 139.98 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.16 135.77 9.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.531 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 1.5 tp60 -134.47 111.87 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.516 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 34.0 m -127.46 -174.43 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.511 ' CA ' ' OE1' ' A' ' 94' ' ' GLN . . . -144.4 101.24 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.47 ' N ' ' OE1' ' A' ' 94' ' ' GLN . 6.0 t90 -84.75 134.65 34.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 107.945 -179.991 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.545 ' CG2' ' CB ' ' A' ' 91' ' ' ALA . 75.5 t -126.25 -40.22 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.418 ' CB ' HG23 ' A' ' 44' ' ' VAL . 2.1 m-20 -169.31 179.98 3.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 64.8 m -58.46 93.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.378 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.8 -10.17 52.29 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.478 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.1 t -98.32 44.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 39' ' ' TRP . 5.9 tt -114.26 94.3 4.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.08 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.442 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -84.11 122.55 28.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.534 ' HB2' ' CG ' ' A' ' 78' ' ' PHE . 1.1 m -89.22 161.78 16.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.486 1.116 . . . . 0.0 108.287 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 45.9 t30 -117.74 80.79 14.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.559 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 18.0 Cg_endo -75.09 36.76 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 110.935 -179.89 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.625 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -130.13 -0.41 4.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.608 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -61.41 -63.39 1.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.625 ' CE2' ' O ' ' A' ' 50' ' ' ALA . 9.1 m-85 77.39 -30.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.538 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 18.7 m -35.68 149.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.028 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 t -144.31 145.79 32.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.994 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 32' ' ' TYR . 7.4 p -135.14 169.02 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.427 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.4 m -128.59 142.06 51.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.372 1.045 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.502 ' HB2' ' HA2' ' A' ' 61' ' ' GLY . . . -68.68 171.5 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.9 p30 -132.29 121.12 23.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.529 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.69 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.651 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.8 m120 -37.57 -45.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.564 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 127.88 -0.43 6.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.945 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.472 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -78.87 140.12 38.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 0.746 . . . . 0.0 109.994 179.95 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -72.12 159.42 34.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' A' ' 65' ' ' THR . 24.9 p -161.31 105.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 -179.934 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.498 ' CG2' ' CD1' ' A' ' 67' ' ' LEU . 2.2 t -177.88 174.82 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 4.5 m -90.26 116.04 27.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.498 ' CD1' ' CG2' ' A' ' 65' ' ' THR . 9.8 mp -105.02 142.93 33.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.624 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 1.8 t -91.56 99.97 12.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.635 HG11 ' CE2' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -78.35 66.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.624 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -62.44 141.2 58.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.252 -179.972 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.614 ' HB3' ' CD2' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -110.26 -71.08 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.18 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.412 ' H ' ' HG3' ' A' ' 71' ' ' ARG . 0.3 OUTLIER -62.07 103.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.017 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.654 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -156.08 -160.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.183 . . . . 0.0 110.947 -179.992 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -117.0 103.05 9.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.41 ' CA ' ' HB3' ' A' ' 46' ' ' ALA . . . -67.16 121.65 16.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.922 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.593 ' O ' ' C ' ' A' ' 77' ' ' LEU . 75.7 m-85 -97.54 119.94 37.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 0.8 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.593 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.1 mt -23.04 -78.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.534 ' CG ' ' HB2' ' A' ' 47' ' ' CYS . 20.9 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.435 ' N ' HD21 ' A' ' 77' ' ' LEU . 12.6 ttt180 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.442 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 41.1 m95 -100.81 -106.47 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -179.963 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.687 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 121.72 -149.13 17.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.6 m -50.54 75.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.758 . . . . 0.0 110.399 -179.978 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.687 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.5 OUTLIER -141.12 163.94 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.449 ' HB2' ' CG2' ' A' ' 89' ' ' THR . 0.0 OUTLIER -89.37 121.87 32.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.961 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.654 ' SG ' ' CZ ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -59.71 -30.42 68.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 108.273 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 87' ' ' ASP . 1.8 t -50.84 -17.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -92.72 -15.25 26.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.545 ' CB ' ' CG2' ' A' ' 40' ' ' VAL . . . -126.9 12.46 7.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 42.37 89.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.612 ' CB ' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -62.69 -176.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 108.308 -179.924 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.511 ' OE1' ' CA ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -159.22 142.52 14.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.342 -179.929 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.606 ' CG1' ' CG2' ' A' ' 7' ' ' VAL . 4.2 p -132.86 123.64 49.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.364 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.458 ' HA3' ' HA2' ' A' ' 107' ' ' GLY . . . -143.0 -166.51 11.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.514 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -82.07 156.41 24.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.742 . . . . 0.0 109.291 -179.948 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -156.33 119.2 4.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.568 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.568 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 90.8 -170.74 35.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 118.86 5.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.924 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.91 31.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.458 ' HA2' ' HA3' ' A' ' 96' ' ' GLY . . . -92.54 153.52 21.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.485 ' CG1' HG23 ' A' ' 7' ' ' VAL . 13.6 p -81.59 114.36 22.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.32 113.97 5.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.143 . . . . 0.0 109.38 179.927 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.551 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 95.8 mt -121.83 154.19 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.5 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -84.37 117.97 23.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 -179.984 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.635 ' CE2' HG11 ' A' ' 69' ' ' VAL . 23.2 m-85 -98.11 127.37 44.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.449 ' OD1' ' NH2' ' A' ' 71' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.926 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.472 -0.195 . . . . 0.0 110.472 . . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 97' ' ' LEU . . . -98.72 168.75 9.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.444 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 26.6 p -151.63 157.49 42.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 179.989 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.561 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 13.9 t -105.71 119.25 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.696 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -33.46 -66.57 0.21 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.409 179.962 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.696 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.96 -163.86 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.493 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -161.82 36.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.996 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.457 ' OG ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -140.74 94.27 2.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.04 179.989 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.67 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -71.48 -0.1 36.86 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.41 1.069 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.67 ' C ' ' O ' ' A' ' 12' ' ' GLY . 4.5 mt -13.54 -63.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.777 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.5 t -75.83 96.24 3.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 110.04 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.482 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 7.3 p-10 -45.02 108.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.668 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 92.2 32.74 8.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.435 1.084 . . . . 0.0 110.96 179.927 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 69' ' ' VAL . 1.3 t -74.8 95.13 2.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 0.752 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.2 t -68.15 75.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.8 OUTLIER -82.14 165.37 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 65' ' ' THR . 8.9 tttt -62.94 135.81 57.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.487 ' CG2' HG22 ' A' ' 7' ' ' VAL . 1.1 t -127.76 142.15 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.918 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.76 148.58 33.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.696 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 97.69 -171.75 26.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.937 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.696 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 145.18 -155.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 0.787 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.417 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -61.29 -3.42 3.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.469 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 46.99 66.56 0.97 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 0.765 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 67.1 tp60 -76.77 -99.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 163.0 46.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.06 71.53 1.0 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.453 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -156.81 158.41 36.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.787 . . . . 0.0 110.341 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.54 151.08 21.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.469 ' HB3' ' CD2' ' A' ' 97' ' ' LEU . 2.8 m-85 -148.68 79.2 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.59 131.37 48.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.593 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 2.6 t -66.38 161.57 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.563 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -138.13 -171.97 12.38 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 174.25 115.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 0.807 . . . . 0.0 110.258 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.552 ' O ' ' HB3' ' A' ' 93' ' ' CYS . 5.1 m -122.76 171.5 9.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 108.341 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.452 ' CB ' ' SG ' ' A' ' 93' ' ' CYS . . . -141.55 165.63 26.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.668 ' HE1' ' NE2' ' A' ' 94' ' ' GLN . 21.0 m95 -118.59 121.36 40.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.008 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.492 HG22 ' CG ' ' A' ' 83' ' ' TRP . 10.3 t -88.76 -127.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.947 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.481 ' O ' ' CG2' ' A' ' 42' ' ' THR . 3.9 t0 -114.11 145.45 41.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER 81.2 19.83 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.446 -179.973 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.05 0.62 89.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.49 HG11 ' CD2' ' A' ' 77' ' ' LEU . 4.6 t -49.14 142.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.539 HD11 ' CZ2' ' A' ' 39' ' ' TRP . 2.9 tt -134.67 106.12 6.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.82 126.2 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 1.3 m -91.46 156.34 17.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.347 1.029 . . . . 0.0 108.24 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.757 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 16.6 t-20 -107.6 97.66 20.91 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -74.97 36.22 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.454 1.765 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.75 8.27 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -36.57 -41.42 0.3 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.41 -61.82 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.934 179.985 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.593 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 4.3 m -35.48 151.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.9 p -158.35 143.99 16.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.601 ' CG2' ' CG2' ' A' ' 65' ' ' THR . 0.6 OUTLIER -146.4 -162.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.966 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.452 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 1.2 m -146.32 163.97 33.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.941 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 61' ' ' GLY . . . -73.87 -179.84 3.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.702 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.5 p30 -137.02 134.35 36.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.702 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.41 80.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.662 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.2 t30 148.51 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.584 1.177 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.49 ' HA3' ' N ' ' A' ' 27' ' ' GLN . . . 121.15 -8.1 10.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -75.9 134.81 40.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 0.783 . . . . 0.0 109.979 -179.978 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -81.62 161.78 23.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.464 ' O ' ' HB ' ' A' ' 65' ' ' THR . 98.3 p -163.25 117.36 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.601 ' CG2' ' CG2' ' A' ' 55' ' ' VAL . 3.1 t 177.46 -128.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.566 ' N ' ' OG1' ' A' ' 65' ' ' THR . 23.5 m -151.76 135.68 16.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.0 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 6.6 mp -118.1 136.09 53.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.227 -179.952 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.449 HG23 ' NH2' ' A' ' 70' ' ' ARG . 8.8 t -80.65 105.34 11.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.664 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 2.9 t -77.04 63.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.668 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -49.57 126.52 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.609 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 10.6 ttm180 -67.01 -76.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.451 ' HA ' ' N ' ' A' ' 87' ' ' ASP . 16.5 p -57.3 118.32 4.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 179.953 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.757 ' CZ ' ' HB2' ' A' ' 48' ' ' ASN . 6.9 t80 -119.06 138.81 52.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.543 ' HA ' ' HA3' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -148.26 68.09 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.02 -161.15 28.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.573 1.171 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.425 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 5.8 t80 -129.49 152.0 49.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.611 HD13 ' CZ2' ' A' ' 83' ' ' TRP . 1.6 mt -60.56 -53.54 56.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.612 ' C ' ' CG ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.612 ' CG ' ' C ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -171.8 -82.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 0.0 108.047 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.634 ' O ' ' HB3' ' A' ' 73' ' ' PHE . . . 70.01 0.79 29.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.513 ' O ' ' C ' ' A' ' 86' ' ' VAL . 12.0 t 37.55 29.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.61 ' O ' ' C ' ' A' ' 87' ' ' ASP . 5.1 p 31.03 -139.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.61 ' C ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -22.75 94.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.753 ' O ' ' N ' ' A' ' 92' ' ' ALA . 19.9 m -41.59 -44.94 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 108.342 -179.996 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 113' ' ' ASN . 0.2 OUTLIER -39.18 -27.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 179.967 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 88' ' ' CYS . 4.8 m -67.64 -28.59 67.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.643 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -135.82 -40.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.753 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 94.12 67.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 37' ' ' CYS . 1.8 m -52.36 -176.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 108.364 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.668 ' NE2' ' HE1' ' A' ' 39' ' ' TRP . 17.8 pm0 -131.26 156.07 46.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.479 ' CG1' HG23 ' A' ' 7' ' ' VAL . 3.3 p -132.18 128.01 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -140.92 -170.83 12.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.48 ' HB2' ' CB ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -109.5 156.0 20.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -137.02 157.56 46.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.99 -179.946 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.434 ' OD1' ' HB2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.434 ' HB2' ' OD1' ' A' ' 99' ' ' ASP . 2.1 m-80 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.1 140.77 43.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -90.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 60.4 51.7 5.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 -179.954 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.28 -102.48 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.43 1.081 . . . . 0.0 111.039 179.931 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.9 p -169.05 134.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.5 113.61 9.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.555 ' CG2' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -103.5 154.28 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 12' ' ' GLY . 59.3 m -94.1 100.17 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.043 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.673 ' CD1' ' HB3' ' A' ' 88' ' ' CYS . 32.9 m-85 -86.37 171.49 11.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.94 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.5 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 40.3 t30 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.469 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . -78.77 -54.78 1.06 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.575 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.1 Cg_endo -75.01 102.07 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.575 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -178.55 147.65 0.41 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.446 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 97' ' ' LEU . . . -98.44 156.76 16.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.455 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 26.5 p -151.62 157.15 41.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.567 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.1 t -109.75 136.63 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.53 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.62 -58.78 0.98 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.567 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.5 Cg_endo -74.99 175.58 11.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.558 1.82 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.453 ' HA ' HG12 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -159.09 16.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.623 1.202 . . . . 0.0 110.009 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.458 ' CB ' ' HB3' ' A' ' 111' ' ' SER . 20.4 p 167.56 159.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.412 ' C ' HD21 ' A' ' 13' ' ' LEU . . . 65.77 35.82 91.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.549 HD11 ' CG1' ' A' ' 69' ' ' VAL . 4.6 mt -93.8 -149.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -150.92 168.1 25.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.615 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 13.4 p-10 -63.59 94.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.458 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 95.84 35.94 5.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.558 1.161 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.466 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -66.32 80.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 0.757 . . . . 0.0 110.437 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 6.2 t -72.21 96.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.529 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 33.4 m -120.32 178.82 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' O ' HG22 ' A' ' 21' ' ' VAL . 1.1 ttpt -65.99 140.33 58.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.521 HG22 ' CG1' ' A' ' 7' ' ' VAL . 73.7 t -143.16 141.22 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.39 1.056 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -145.98 154.54 42.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.626 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 109.67 171.96 20.5 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.538 1.149 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.626 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 153.49 -163.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.28 -6.84 2.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 54.87 59.7 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.527 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 20.7 mm-40 -86.8 -98.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 176.17 93.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.54 17.7 13.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.075 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.0 m -81.5 164.14 22.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 0.809 . . . . 0.0 110.457 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.4 145.89 29.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CD1' HD21 ' A' ' 97' ' ' LEU . 3.7 m-85 -143.75 77.12 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -45.52 117.83 1.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.16 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.488 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 73.6 t -58.43 153.73 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.98 153.57 24.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.539 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -146.15 119.78 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.35 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.514 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 19.6 m -123.12 178.23 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.554 ' CB ' ' SG ' ' A' ' 93' ' ' CYS . . . -128.6 108.33 10.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -87.43 111.78 21.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 107.998 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 83.9 t -100.54 -106.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 43' ' ' GLY . 8.4 t0 -89.16 39.43 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m 65.79 -66.02 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.43 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -63.66 -14.17 53.91 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 t -115.9 93.66 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 tt -120.98 107.72 13.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 83' ' ' TRP . . . -94.66 102.04 13.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.514 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -74.89 157.29 35.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 108.254 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.602 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 7.5 t-20 -114.2 91.06 21.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 41.26 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -134.58 2.85 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.453 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -45.7 -56.1 5.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.476 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.95 -55.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.956 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.488 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.9 m -31.89 149.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.3 p -141.7 131.67 24.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.948 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.528 HG23 ' CG2' ' A' ' 65' ' ' THR . 6.3 p -115.77 145.95 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.6 m -104.94 146.53 28.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.457 ' HB3' ' HA2' ' A' ' 61' ' ' GLY . . . -79.62 166.25 22.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.5 p30 -126.57 120.33 29.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.632 1.207 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.06 -89.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.619 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.1 t-20 -36.57 -46.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.553 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.14 1.32 6.27 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.459 1.1 . . . . 0.0 111.059 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -79.11 132.89 36.73 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.443 0.731 . . . . 0.0 110.014 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -65.16 159.21 24.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.0 p -162.31 106.21 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.958 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.528 ' CG2' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.1 -177.92 0.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.499 ' N ' ' CG2' ' A' ' 65' ' ' THR . 0.8 OUTLIER -94.02 124.82 38.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 5.1 mp -114.54 141.16 48.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.519 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 5.1 t -82.26 110.26 17.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.549 ' CG1' HD11 ' A' ' 13' ' ' LEU . 4.6 t -84.61 63.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.651 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -37.18 154.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.71 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 4.4 tmm_? -110.82 -63.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.478 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 97.0 p -117.8 145.44 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.932 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 52.3 p90 -178.89 -165.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 110.955 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 2.6 pt-20 -111.95 117.4 32.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -113.88 172.87 14.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 82' ' ' ARG . 1.5 t80 -149.81 140.31 22.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 111.076 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.641 ' O ' ' HB2' ' A' ' 78' ' ' PHE . 4.3 mm? -49.8 -70.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.641 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 67.8 t80 170.09 -28.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 t0 173.18 52.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.02 -63.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.436 1.085 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.473 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 23.0 m -125.27 165.57 18.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.75 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.579 ' HB2' ' CE2' ' A' ' 76' ' ' PHE . 32.7 ttp180 -131.89 135.9 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.451 ' HA ' ' CE3' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -65.88 -78.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 107.977 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 124.25 161.8 11.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.442 ' O ' ' CG2' ' A' ' 85' ' ' THR . 1.3 m -65.54 68.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 110.347 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 84' ' ' GLY . 8.5 p -126.32 172.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.478 ' HA ' ' CB ' ' A' ' 72' ' ' SER . 0.2 OUTLIER -65.58 136.8 56.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -95.0 -22.83 17.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 108.281 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 112' ' ' PHE . 2.5 t -52.33 -23.77 6.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -22.78 49.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.457 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -115.08 18.12 16.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 35.42 69.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.554 ' SG ' ' CB ' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -51.63 -179.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.293 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 15.7 pm0 -148.69 150.95 34.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.487 ' CG1' HG23 ' A' ' 7' ' ' VAL . 12.6 p -131.74 121.72 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.425 ' HA3' ' CG ' ' A' ' 106' ' ' GLU . . . -138.62 -174.21 13.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.467 1.105 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.577 HD21 ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -83.35 145.44 29.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.751 . . . . 0.0 109.357 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -137.24 137.15 38.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.919 ' HD2' ' ND2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -98.35 176.07 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.52 9.1 5.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -113.15 -12.24 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.242 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 68.55 44.56 71.6 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.919 ' ND2' ' HD2' ' A' ' 99' ' ' ASP . 9.3 p-10 -48.3 -179.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 0.741 . . . . 0.0 109.242 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -42.43 167.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.594 1.184 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.3 22.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.425 ' CG ' ' HA3' ' A' ' 96' ' ' GLY . 27.5 mm-40 -80.64 -156.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.27 29.38 0.11 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.408 1.068 . . . . 0.0 111.061 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.51 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 2.7 t -105.03 78.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.34 104.73 5.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.507 HG22 ' CD1' ' A' ' 13' ' ' LEU . 1.8 mt -109.34 141.33 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 11' ' ' SER . 0.9 OUTLIER -85.38 108.17 17.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.916 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.71 ' CD2' ' HA ' ' A' ' 71' ' ' ARG . 12.9 m-30 -85.89 145.09 27.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 112' ' ' PHE . 62.0 t30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.483 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . 167.26 -55.55 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.544 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.94 69.4 5.51 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.504 1.792 . . . . 0.0 111.047 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.544 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 1.1 p -163.62 150.89 12.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.424 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.462 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -100.55 168.74 9.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.462 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 16.7 p -151.8 157.91 42.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.572 ' CG2' ' CD1' ' A' ' 110' ' ' ILE . 10.0 t -100.01 119.74 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.573 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -27.79 -60.34 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.393 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.573 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.07 -91.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.493 1.786 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 2.2 p 89.83 24.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.036 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.523 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 87.5 p -176.17 157.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.078 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.14 41.71 47.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.503 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 52.7 mt -99.74 -145.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.48 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.6 t -162.52 162.44 27.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.503 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 6.7 p-10 -57.32 98.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.494 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 94.1 39.3 4.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.503 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 2.9 m -80.77 91.33 5.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.8 t -71.24 90.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -108.66 172.27 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -77.08 143.11 39.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 6' ' ' THR . 91.0 t -137.15 138.66 45.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -137.8 157.1 47.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.639 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 101.67 -179.74 27.89 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.639 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 150.61 -160.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.459 ' HA2' ' CA ' ' A' ' 3' ' ' PRO . . . -61.79 -1.24 2.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.56 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.4 tp 47.86 62.59 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.804 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 6.6 mm-40 -89.97 -99.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.235 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 178.22 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.39 13.95 18.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.0 m -74.29 165.3 25.42 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.53 0.782 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.42 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -86.03 146.98 26.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.579 ' CD1' HD21 ' A' ' 97' ' ' LEU . 7.6 m-85 -143.19 77.68 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -50.66 122.59 7.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.624 ' CG1' ' HD2' ' A' ' 51' ' ' ASP . 97.0 t -65.2 149.55 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.429 ' N ' HG13 ' A' ' 34' ' ' VAL . . . -142.78 145.31 15.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.613 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -130.19 113.58 14.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 0.742 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 4.6 m -124.87 169.2 12.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 108.274 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.47 104.89 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.072 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.448 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -77.59 119.86 21.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 107.978 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.431 HG21 ' CZ2' ' A' ' 83' ' ' TRP . 16.4 t -109.97 -27.4 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.412 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -177.88 172.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.4 m -54.71 90.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 102.31 -6.85 53.63 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.098 . . . . 0.0 110.957 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.412 ' HB ' ' N ' ' A' ' 41' ' ' ASP . 2.7 t -98.42 39.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' A' ' 39' ' ' TRP . 0.6 OUTLIER -98.55 111.54 23.87 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.578 ' HB3' ' CD1' ' A' ' 83' ' ' TRP . . . -86.57 100.0 12.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.376 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.508 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -82.35 145.43 29.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 108.303 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.616 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 30.6 t30 -116.09 80.38 9.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.99 26.47 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.614 ' O ' ' CG ' ' A' ' 52' ' ' PHE . . . -114.26 0.51 14.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.624 ' HD2' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -48.71 -42.87 36.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 50' ' ' ALA . 9.1 m-85 70.12 -49.22 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.5 ' HB2' ' HD2' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -35.13 151.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 t -151.03 138.45 19.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.908 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.474 HG23 ' CB ' ' A' ' 63' ' ' ALA . 10.3 p -122.91 149.39 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m -106.31 148.76 27.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.448 ' HB3' ' HA2' ' A' ' 61' ' ' GLY . . . -77.2 171.12 15.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.9 p30 -132.2 121.06 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.512 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.35 -89.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.1 t-20 -36.98 -44.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.56 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.68 0.47 7.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.122 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 8.6 m -77.06 135.81 38.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 0.731 . . . . 0.0 109.955 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.474 ' CB ' HG23 ' A' ' 55' ' ' VAL . . . -78.38 157.1 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 0.0 109.35 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' A' ' 65' ' ' THR . 21.5 p -155.89 110.68 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.468 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.94 166.74 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.4 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 10.0 p -88.73 127.88 35.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' HG ' ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -110.2 144.86 38.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.59 ' CG2' ' CZ ' ' A' ' 70' ' ' ARG . 9.1 t -84.77 99.65 11.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.39 1.056 . . . . 0.0 110.386 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.674 HG11 ' CZ ' ' A' ' 112' ' ' PHE . 19.8 t -72.34 63.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.216 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.59 ' CZ ' ' CG2' ' A' ' 68' ' ' THR . 0.1 OUTLIER -63.21 129.72 41.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.503 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 5.1 tmm_? -89.46 -72.54 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.4 p -70.55 96.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.616 ' CE2' ' HB2' ' A' ' 48' ' ' ASN . 4.2 p90 -138.1 156.53 47.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -92.22 98.73 11.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.402 ' CA ' ' CE2' ' A' ' 73' ' ' PHE . . . -97.91 150.44 19.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.584 ' CE2' ' HD2' ' A' ' 82' ' ' ARG . 5.0 m-85 -119.13 136.28 54.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.732 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 5.8 mp -55.55 -49.77 71.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.496 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER 75.05 15.49 2.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.93 21.9 0.51 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.406 ' C ' ' OG1' ' A' ' 81' ' ' THR . . . 179.97 -61.22 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.46 ' CG2' ' H ' ' A' ' 82' ' ' ARG . 7.9 m -157.08 -147.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.321 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.584 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -140.33 150.75 44.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.578 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 45.4 m95 -77.62 -66.68 0.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 0.0 107.974 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.575 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 87.95 126.87 2.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.575 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.8 OUTLIER 23.86 81.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 110.327 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.7 p -128.67 150.77 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -80.96 118.31 22.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.67 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -63.96 -40.11 95.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 108.354 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.0 t -54.18 -24.51 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.3 m -82.95 -19.62 36.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.537 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -126.67 23.13 6.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 30.11 56.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.253 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.593 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 1.6 p -51.83 -175.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 108.241 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.495 ' CB ' ' C ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -146.49 159.19 43.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.34 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.55 ' CG1' HD13 ' A' ' 110' ' ' ILE . 3.1 p -135.21 98.27 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.491 ' HA3' ' CB ' ' A' ' 106' ' ' GLU . . . -116.18 177.08 16.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.579 HD21 ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -80.74 155.37 26.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 0.742 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.566 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -144.99 130.31 18.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.965 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -100.66 172.32 7.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.0 33.25 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -159.62 -42.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.365 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.526 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -81.2 -56.2 3.08 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.51 1.131 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.579 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER 37.94 -163.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.396 0.703 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.579 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 91.02 173.95 43.86 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.73 11.7 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.555 1.819 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.491 ' CB ' ' HA3' ' A' ' 96' ' ' GLY . 1.1 tp10 -79.37 -55.66 4.9 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 112.81 15.22 9.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.495 ' C ' ' CB ' ' A' ' 94' ' ' GLN . 15.0 t -71.99 70.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.584 0.814 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.95 118.15 7.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.246 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.572 ' CD1' ' CG2' ' A' ' 7' ' ' VAL . 88.5 mt -121.09 149.33 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.523 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -93.48 100.47 12.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.674 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 5.0 m-85 -85.07 15.07 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 112' ' ' PHE . 1.3 t30 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.495 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . -78.41 -56.11 1.01 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.527 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.2 Cg_endo -74.96 78.52 2.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.547 1.814 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.527 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -176.29 143.47 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.496 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -103.19 161.26 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.496 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 1.8 p -153.27 162.52 41.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.437 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.558 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 5.4 t -115.72 133.94 60.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.594 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -32.31 -61.44 0.32 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 110.392 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.594 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.01 -84.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER 86.47 24.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.986 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.2 p -178.61 139.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.959 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 72.97 33.45 59.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.528 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 8.3 mt -94.45 -151.3 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.805 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.23 171.76 18.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.523 ' CB ' ' HG3' ' A' ' 71' ' ' ARG . 30.7 t0 -67.2 100.1 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' OG1' ' A' ' 68' ' ' THR . . . 100.86 27.64 7.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.528 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 2.1 m -78.48 80.08 4.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 110.36 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 10.4 t -72.61 94.87 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -116.09 169.88 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.15 131.59 51.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.505 HG22 ' CG1' ' A' ' 7' ' ' VAL . 73.6 t -134.59 139.75 47.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.419 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -140.88 154.21 46.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.598 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 107.47 171.51 22.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.598 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 155.48 -161.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.68 -4.63 3.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.551 1.157 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.539 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.1 tp 53.34 60.41 3.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.438 0.728 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.524 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 7.9 mm-40 -84.99 -99.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 174.47 90.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 55.12 19.92 18.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 1.2 m -85.38 164.02 18.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.415 ' N ' ' CG2' ' A' ' 30' ' ' THR . . . -76.78 147.54 37.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.547 ' CD1' HD21 ' A' ' 97' ' ' LEU . 3.1 m-85 -145.95 79.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -48.83 118.73 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.493 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 48.5 t -54.62 155.44 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.215 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.478 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -136.15 -169.15 11.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.389 1.056 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.528 ' HG2' ' CB ' ' A' ' 95' ' ' VAL . 0.1 OUTLIER 172.17 120.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 0.734 . . . . 0.0 110.243 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 11.4 m -134.48 172.98 12.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.507 ' CB ' ' HB2' ' A' ' 93' ' ' CYS . . . -145.16 127.14 15.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.453 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 44.3 t90 -79.06 129.32 34.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.024 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.572 HG12 ' CZ2' ' A' ' 83' ' ' TRP . 88.7 t -114.34 -102.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.45 ' N ' HG13 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -56.62 -162.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -76.0 -46.1 31.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.76 32.14 5.28 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 13.8 t -124.5 127.35 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.436 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.8 tt -132.64 102.17 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.444 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -74.58 104.48 5.29 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.481 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -84.02 159.51 21.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.596 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 8.6 t-20 -114.47 86.01 11.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -74.94 39.22 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.462 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.78 2.99 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -42.92 -52.04 5.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.393 1.058 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 65.81 -54.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.8 m -34.12 152.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 p -139.77 137.13 34.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 110.059 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 63' ' ' ALA . 3.1 p -125.66 160.04 32.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.431 ' N ' HG23 ' A' ' 55' ' ' VAL . 1.5 m -117.37 152.63 34.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.49 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -84.1 170.19 14.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.608 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.3 p30 -129.53 120.54 25.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.618 1.199 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.62 -90.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.39 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.608 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.9 m120 -35.4 -46.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.539 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.68 0.39 6.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 111.089 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 67.2 m -78.26 137.09 37.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.777 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -68.33 161.86 26.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.428 ' O ' ' HB ' ' A' ' 65' ' ' THR . 27.5 p -164.86 101.93 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.064 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.7 OUTLIER -179.98 174.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 110.431 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.404 ' N ' HG21 ' A' ' 65' ' ' THR . 16.2 m -84.47 120.48 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.952 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.522 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 6.1 mp -114.73 138.49 50.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.259 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.569 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -76.96 117.88 19.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 110.425 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.635 HG13 ' CE2' ' A' ' 112' ' ' PHE . 11.9 t -87.47 63.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.569 ' NE ' ' O ' ' A' ' 68' ' ' THR . 1.0 OUTLIER -60.9 140.43 57.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.558 ' HB3' ' CG ' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -110.7 -74.95 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.081 . . . . 0.0 110.359 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.2 t -69.0 83.08 0.32 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.552 1.158 . . . . 0.0 109.923 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.615 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -132.33 150.48 52.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.497 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 2.3 pt-20 -77.55 120.17 22.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.592 1.182 . . . . 0.0 110.386 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -110.16 150.53 17.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.553 ' CE2' ' HD2' ' A' ' 82' ' ' ARG . 7.3 m-85 -113.39 133.78 54.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.622 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 10.6 mp -37.63 -60.95 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.622 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.4 t80 154.01 -20.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.53 -39.87 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 177.38 -34.16 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.445 ' HB ' ' CD2' ' A' ' 77' ' ' LEU . 6.8 m -59.49 166.62 2.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 0.776 . . . . 0.0 110.452 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.553 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -167.81 159.71 11.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.572 ' CZ2' HG12 ' A' ' 40' ' ' VAL . 13.6 m95 -96.85 -61.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 108.017 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.497 ' HA2' ' CB ' ' A' ' 74' ' ' GLU . . . 102.77 144.81 14.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.528 ' O ' ' CG2' ' A' ' 85' ' ' THR . 3.8 t 30.98 49.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.727 . . . . 0.0 110.355 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.447 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -80.34 119.69 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 90' ' ' THR . 1.1 m-20 -72.32 103.94 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.638 ' O ' ' N ' ' A' ' 92' ' ' ALA . 64.9 m -47.09 -38.92 12.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 108.273 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.6 t -59.07 -26.16 64.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 87' ' ' ASP . 30.6 m -77.13 -28.56 54.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.625 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -132.4 35.65 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 21.63 62.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.206 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.581 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -54.74 -171.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.092 . . . . 0.0 108.35 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.498 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -144.52 158.35 43.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.088 . . . . 0.0 110.302 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.559 ' CG1' ' CD1' ' A' ' 110' ' ' ILE . 7.6 p -140.3 111.98 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.11 -171.61 12.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.547 HD21 ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -72.66 154.46 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 0.754 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.525 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -143.22 95.44 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.022 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -90.14 -178.96 5.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.41 15.71 7.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -167.68 47.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -174.38 -35.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.499 ' HB3' ' CA ' ' A' ' 98' ' ' SER . 20.0 p30 -46.63 175.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.757 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.17 -146.27 18.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 95.19 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.525 1.802 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 179.14 36.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.26 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -88.55 170.06 38.15 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.498 ' N ' ' HB2' ' A' ' 94' ' ' GLN . 11.3 p -95.6 119.06 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.633 0.843 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.53 110.75 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.226 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.559 ' CD1' ' CG1' ' A' ' 95' ' ' VAL . 63.7 mt -112.8 147.95 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.381 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -98.33 103.18 15.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.635 ' CE2' HG13 ' A' ' 69' ' ' VAL . 29.0 m-85 -86.46 129.11 34.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.239 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 1' ' ' ALA . . . 53.45 172.76 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.52 ' C ' ' CG2' ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.96 169.3 22.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 110.949 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.52 ' CG2' ' C ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER 172.12 167.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 110.456 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.504 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -112.6 160.27 18.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.504 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 2.6 p -153.27 165.12 36.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.539 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.6 t -96.16 135.18 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.538 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -38.25 -58.34 1.53 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.393 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.5 Cg_endo -74.87 175.73 10.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.439 1.757 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.453 ' HA ' HG12 ' A' ' 110' ' ' ILE . 10.1 p -153.36 16.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.045 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.483 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 80.9 p 176.39 161.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.34 35.68 90.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.544 HD22 ' N ' ' A' ' 13' ' ' LEU . 4.6 mt -89.46 -143.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 0.783 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.38 161.19 16.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 51.8 t0 -64.74 94.64 0.13 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.452 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 93.37 34.51 6.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.077 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.553 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.3 OUTLIER -82.39 96.89 8.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 110.384 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.7 t -75.26 101.56 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.466 HG22 ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -114.18 169.06 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.065 . . . . 0.0 109.238 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.98 127.91 33.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.515 HG22 ' CG1' ' A' ' 7' ' ' VAL . 78.7 t -128.07 139.13 52.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.06 159.85 41.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.59 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 101.15 174.14 28.86 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.59 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 156.7 -160.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.406 ' H ' ' HB3' ' A' ' 24' ' ' ALA . . . -63.73 0.23 3.32 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.536 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 3.5 tp 48.93 63.43 2.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.412 0.713 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.518 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 11.2 mm-40 -92.85 -102.25 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 110.353 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -178.53 84.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.42 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 61.46 13.5 37.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.69 159.06 33.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 0.728 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.601 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -69.08 149.11 49.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.592 1.182 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.646 ' CG ' ' CD2' ' A' ' 97' ' ' LEU . 3.7 m-30 -149.32 81.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.548 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -53.81 128.47 29.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.527 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 46.7 t -67.21 146.04 13.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.078 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -123.35 -173.36 14.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 170.04 116.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 15.0 m -128.03 175.4 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 93' ' ' CYS . . . -151.81 125.94 9.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -75.47 150.58 38.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 107.975 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.553 HG21 ' CD1' ' A' ' 83' ' ' TRP . 80.5 t -135.61 -106.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.489 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -58.7 163.87 3.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.1 m -62.43 89.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.15 -15.8 25.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.159 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.489 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 21.2 t -88.37 125.73 41.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.41 114.86 16.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -94.39 113.34 25.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.484 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -81.87 167.98 18.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.155 . . . . 0.0 108.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 28.0 t-20 -113.79 87.78 12.93 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.03 40.92 0.69 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -138.32 4.86 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 53' ' ' SER . 1.3 p30 -42.04 -57.28 2.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.413 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 67.5 -51.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 111.021 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.517 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.9 m -38.42 149.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.055 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.6 p -146.56 142.44 28.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.94 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.485 ' CG2' ' N ' ' A' ' 56' ' ' THR . 1.6 p -132.54 166.1 30.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.485 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.1 m -124.07 147.64 47.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.549 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -72.0 175.02 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.655 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.0 p30 -133.37 119.94 20.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.533 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.7 -88.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.655 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.3 m120 -36.27 -46.65 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.536 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.43 -1.15 6.5 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.576 1.173 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 4.8 m -79.57 141.66 36.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.045 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -78.58 156.08 29.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.1 p -157.46 106.08 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 66' ' ' SER . 0.6 OUTLIER -179.98 170.52 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.178 . . . . 0.0 110.414 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.427 ' N ' HG22 ' A' ' 65' ' ' THR . 15.8 m -86.29 125.54 33.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.966 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.527 ' HG ' ' CG1' ' A' ' 34' ' ' VAL . 0.9 OUTLIER -114.91 140.13 49.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.562 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -78.32 118.25 20.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.692 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 2.9 t -89.02 60.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.562 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.4 OUTLIER -48.11 136.39 11.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.228 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.524 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 1.3 ttp180 -106.88 -78.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 t -77.67 91.32 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 48' ' ' ASN . 7.2 p90 -138.62 165.57 26.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.9 OUTLIER -81.56 118.3 22.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.236 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.42 ' C ' ' HB2' ' A' ' 46' ' ' ALA . . . -97.36 143.17 16.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 33.9 m-85 -116.7 124.53 49.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 0.736 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.601 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 9.8 mt -39.85 -72.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.601 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER 154.11 -22.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.954 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -92.42 -72.73 0.58 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -159.65 24.54 0.31 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.443 1.089 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.453 ' CG2' HD11 ' A' ' 77' ' ' LEU . 24.9 m -128.24 164.65 22.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.449 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.416 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 1.4 ppt_? -162.11 141.7 9.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.553 ' CD1' HG21 ' A' ' 40' ' ' VAL . 71.1 m95 -73.91 -48.1 33.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 108.055 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.631 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 79.25 158.4 13.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 111.063 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.631 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER 15.49 72.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 110.391 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.0 p -120.39 143.6 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.21 116.24 22.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.678 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -65.4 -39.12 91.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.29 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.43 HG23 ' NE ' ' A' ' 71' ' ' ARG . 8.7 t -58.57 -22.26 55.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.6 m -83.08 -22.42 33.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.396 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.513 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -126.23 24.18 6.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 30.82 60.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.631 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 1.7 p -51.66 -177.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.469 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 12.6 pm0 -137.38 154.77 49.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 4.2 p -136.87 116.43 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.171 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -135.63 -158.66 8.3 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.547 1.154 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.646 ' CD2' ' CG ' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -93.82 165.2 12.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.221 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.548 ' O ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -154.05 116.29 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.047 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -44.19 170.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.63 -11.09 10.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -112.53 -12.01 13.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 69.86 48.62 40.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.454 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.6 t30 -53.24 -169.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 0.796 . . . . 0.0 109.37 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -34.67 144.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.03 -178.38 4.14 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.441 1.758 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 1.7 mm-40 160.08 49.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.461 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -76.06 167.32 54.63 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 95' ' ' VAL . 2.6 p -101.77 119.98 50.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.75 107.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.494 HG23 ' CD1' ' A' ' 13' ' ' LEU . 66.2 mt -121.49 150.78 24.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.483 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -87.13 116.67 25.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.973 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.692 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 1.4 m-85 -96.6 126.32 41.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.4 t30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.487 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -148.8 61.04 5.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.58 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.4 Cg_endo -75.01 101.53 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.524 1.802 . . . . 0.0 111.048 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.58 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -179.35 150.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.437 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -105.71 152.37 23.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.498 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 3.2 p -149.49 159.86 43.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.395 1.059 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.535 HG13 ' CG2' ' A' ' 19' ' ' VAL . 2.1 t -83.57 115.43 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.607 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -37.19 -61.92 0.64 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.444 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.607 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.03 -91.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.561 1.821 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.494 ' HB2' ' CG1' ' A' ' 110' ' ' ILE . 9.5 p 72.43 40.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.959 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.513 ' HA ' ' HB2' ' A' ' 111' ' ' SER . 65.7 p -153.61 133.66 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.078 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.33 44.08 4.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.494 HD13 ' CG2' ' A' ' 69' ' ' VAL . 13.8 mt -79.99 -152.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.51 0.77 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.436 ' CB ' ' OG1' ' A' ' 17' ' ' THR . 0.1 OUTLIER -148.59 172.22 14.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.593 ' HA ' ' HB2' ' A' ' 71' ' ' ARG . 64.6 t0 -67.43 108.47 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.19 29.25 41.72 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.482 HG21 ' CG1' ' A' ' 19' ' ' VAL . 53.7 m -72.03 84.4 0.99 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.437 0.728 . . . . 0.0 110.414 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.6 t -65.52 78.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.578 ' O ' ' HA ' ' A' ' 66' ' ' SER . 21.7 m -85.23 -172.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -88.91 144.27 26.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.5 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 61.5 t -140.63 144.7 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -143.77 158.08 43.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.373 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.64 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 107.29 174.28 22.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.64 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 152.49 -161.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.22 -3.75 4.09 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 50.05 57.12 6.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 0.0 109.36 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.477 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 36.1 mm-40 -89.66 -100.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -179.13 89.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.442 ' N ' ' HB1' ' A' ' 57' ' ' ALA . . . 64.36 13.74 55.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.425 1.078 . . . . 0.0 111.085 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.413 ' N ' ' HB1' ' A' ' 57' ' ' ALA . 12.3 m -73.81 158.98 33.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 110.368 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.466 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -79.35 145.44 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.599 ' CD1' HD13 ' A' ' 97' ' ' LEU . 8.4 m-85 -145.67 76.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.03 134.69 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.507 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 3.6 t -76.27 154.75 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -127.42 -167.67 12.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.541 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 164.02 107.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.781 . . . . 0.0 110.255 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.571 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 39.7 m -124.38 179.67 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 108.358 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.51 ' CB ' ' SG ' ' A' ' 88' ' ' CYS . . . -125.06 129.02 49.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.496 ' CE3' ' NE2' ' A' ' 94' ' ' GLN . 0.6 OUTLIER -91.82 110.1 21.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 108.054 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.0 t -93.49 -116.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 43' ' ' GLY . 0.6 OUTLIER -90.57 37.18 0.9 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.433 1.083 . . . . 0.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 69.06 -59.31 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.474 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -65.25 -12.47 55.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.489 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 17.4 t -126.87 128.13 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.18 112.91 10.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.518 ' CB ' ' CD1' ' A' ' 83' ' ' TRP . . . -86.55 90.32 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.571 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -69.72 157.79 36.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 108.225 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 30.3 t-20 -115.34 84.26 11.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.95 44.79 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -142.23 6.33 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -51.99 -61.29 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 72.73 -45.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.507 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.8 m -36.27 155.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 t -151.16 139.94 20.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.488 ' HB ' ' CG2' ' A' ' 65' ' ' THR . 7.7 p -121.96 148.45 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -110.22 145.67 36.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.414 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.496 ' HB2' ' HA2' ' A' ' 61' ' ' GLY . . . -71.18 169.03 15.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.657 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.0 p30 -131.71 120.19 22.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.51 -88.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.657 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.7 m-20 -38.2 -45.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.517 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.47 -1.09 6.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -77.6 136.85 38.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 109.958 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -75.01 159.17 32.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.435 ' O ' ' HB ' ' A' ' 65' ' ' THR . 90.6 p -162.17 117.62 1.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.563 HG21 ' N ' ' A' ' 66' ' ' SER . 12.5 t -176.99 -151.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.4 m -125.19 136.41 53.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.963 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 7.3 mp -120.71 135.92 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -76.15 99.83 4.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.376 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.68 HG12 ' CD2' ' A' ' 112' ' ' PHE . 60.5 t -69.58 62.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.664 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 6.8 mtm180 -46.64 131.07 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.593 ' HB2' ' HA ' ' A' ' 15' ' ' ASP . 12.9 mtp180 -79.89 -53.88 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 84.2 p -134.74 159.43 41.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.479 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 6.1 p90 178.1 -171.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.407 ' HA ' ' O ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -111.27 96.9 6.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -95.85 -166.9 34.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 9.0 m-85 -130.98 132.21 44.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.629 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 3.2 mp -49.67 -46.84 50.27 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.629 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 3.4 t80 84.51 14.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -166.79 30.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.438 1.087 . . . . 0.0 109.321 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.07 -63.02 0.05 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.46 1.1 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.492 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER 176.46 172.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 110.39 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.492 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.6 OUTLIER -52.75 141.51 21.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.518 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -75.53 -79.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.041 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 142.43 161.73 8.91 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.418 ' HA ' ' C ' ' A' ' 73' ' ' PHE . 1.7 m -63.34 72.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.761 . . . . 0.0 110.45 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 84' ' ' GLY . 8.8 p -112.4 171.15 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.461 ' HA ' ' CB ' ' A' ' 72' ' ' SER . 0.4 OUTLIER -70.96 136.04 48.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.566 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -98.5 -36.75 9.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -51.4 -35.49 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 110.42 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.19 -22.5 62.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -109.68 20.92 17.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 93' ' ' CYS . . . 39.12 70.19 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.97 -176.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.264 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.537 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.7 pm0 -160.2 146.97 15.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.488 ' HB ' ' CD1' ' A' ' 110' ' ' ILE . 40.7 t -130.92 109.59 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -120.8 -165.07 12.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.599 HD13 ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -97.62 155.87 16.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.484 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 29.4 t -157.41 114.41 3.01 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.04 168.13 11.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.517 ' O ' ' CB ' ' A' ' 101' ' ' ALA . . . -89.3 32.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 100' ' ' ALA . . . 162.19 41.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.95 -55.4 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -172.61 -162.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 0.712 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -144.0 -81.37 0.05 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.07 32.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.73 -52.15 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 111.94 25.6 4.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.468 ' CG1' HD11 ' A' ' 110' ' ' ILE . 93.8 t -72.5 76.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.449 0.735 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.53 109.49 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.573 ' HB ' ' CE1' ' A' ' 112' ' ' PHE . 4.9 mt -109.18 145.28 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.513 ' HB2' ' HA ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -89.17 90.57 8.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.68 ' CD2' HG12 ' A' ' 69' ' ' VAL . 45.0 m-85 -83.96 132.17 34.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 1' ' ' ALA . . . 86.84 162.63 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.407 1.067 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.565 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.99 163.75 34.74 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.803 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.565 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -179.17 160.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.538 ' O ' ' CA ' ' A' ' 107' ' ' GLY . . . -104.4 159.53 15.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.48 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 15.6 p -152.41 158.67 42.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 8' ' ' THR . 1.1 p -116.15 135.48 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.567 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.91 -59.74 0.6 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.635 ' O ' ' CB ' ' A' ' 10' ' ' SER . 18.4 Cg_endo -74.97 -165.76 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.635 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 3.7 t 146.94 39.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.499 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 71.9 p -173.55 125.66 0.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.96 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 61.46 31.46 77.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.523 ' CD1' HG22 ' A' ' 110' ' ' ILE . 4.7 mt -78.7 -141.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.74 163.85 21.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.479 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 7.8 p-10 -66.8 99.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.45 22.18 8.78 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.486 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -64.4 80.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 110.435 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 21.0 t -69.88 114.52 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.469 HG21 ' CG ' ' A' ' 9' ' ' PRO . 2.7 m -139.52 -172.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -78.44 135.01 37.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 6' ' ' THR . 10.0 p -130.26 140.65 48.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.5 154.82 46.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.612 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 92.07 179.54 41.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 155.11 -149.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.476 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -64.8 -0.78 5.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.125 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.4 tp 50.86 50.18 19.58 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.4 0.706 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' ' 28' ' ' ALA . 6.4 tp60 -69.53 -103.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 59' ' ' ALA . . . 176.96 78.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.3 55.99 14.28 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.418 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -136.61 160.31 39.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 110.371 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.97 149.85 4.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.447 ' OH ' ' C ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER -151.07 82.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.72 117.68 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.594 ' CG2' HD22 ' A' ' 67' ' ' LEU . 31.2 t -65.88 151.02 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.203 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -143.27 138.48 8.25 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.489 ' CG ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -125.82 120.96 31.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.254 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 10.2 m -138.4 173.83 11.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 108.326 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.561 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.43 107.62 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 12.0 p-90 -86.77 122.53 30.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 108.025 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.466 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 59.7 t -111.29 -27.56 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 43' ' ' GLY . 5.0 t0 179.37 61.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m 56.43 -85.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.465 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -64.09 -12.35 49.18 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.504 1.127 . . . . 0.0 111.061 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.467 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.5 t -105.71 43.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.373 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 4.5 tt -102.3 111.22 23.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.225 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB3' ' CD1' ' A' ' 83' ' ' TRP . . . -92.81 101.82 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -84.09 147.89 27.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.591 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 58.9 t30 -113.14 87.43 10.75 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.519 ' HG3' ' CE1' ' A' ' 76' ' ' PHE . 18.6 Cg_endo -74.89 32.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.46 1.768 . . . . 0.0 111.059 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.622 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -127.63 1.53 6.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.559 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -50.61 -51.01 52.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 13.6 m-85 69.34 -47.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 52' ' ' PHE . 3.9 m -26.96 142.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.369 1.043 . . . . 0.0 109.988 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.9 p -141.92 136.74 30.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.965 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.527 ' CG2' ' CG2' ' A' ' 65' ' ' THR . 3.7 t -141.19 165.53 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.392 1.058 . . . . 0.0 109.254 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.525 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 1.6 m -120.15 155.5 32.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.448 ' HB2' ' HA2' ' A' ' 61' ' ' GLY . . . -82.65 179.1 7.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.697 ' O ' ' N ' ' A' ' 60' ' ' ASN . 10.6 p30 -132.8 123.41 26.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.56 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 27.53 -86.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.697 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.3 m-20 -36.79 -47.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.517 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 127.09 1.59 6.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 20.7 m -88.84 142.89 27.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 0.715 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.503 ' CB ' HD23 ' A' ' 97' ' ' LEU . . . -70.68 173.68 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' A' ' 65' ' ' THR . 45.2 p -179.77 106.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.527 ' CG2' ' CG2' ' A' ' 55' ' ' VAL . 7.1 t 177.91 -136.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.502 ' N ' ' OG1' ' A' ' 65' ' ' THR . 16.5 m -129.28 130.76 46.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.594 HD22 ' CG2' ' A' ' 34' ' ' VAL . 6.0 mt -125.13 151.46 45.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.514 HG22 ' CZ ' ' A' ' 70' ' ' ARG . 8.7 t -88.06 102.52 14.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.517 HG13 ' CE2' ' A' ' 112' ' ' PHE . 21.2 t -69.41 64.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.587 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 1.6 mtm180 -55.67 143.91 28.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.236 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.529 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 3.4 ttp180 -117.27 -74.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 t -67.29 113.08 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.63 ' CE1' ' SG ' ' A' ' 88' ' ' CYS . 2.5 p90 -157.54 175.78 13.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' HB3' ' N ' ' A' ' 85' ' ' THR . 0.3 OUTLIER -129.91 93.65 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -94.26 178.49 37.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 47' ' ' CYS . 49.6 p90 -110.74 131.65 54.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.608 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -55.33 -48.53 74.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.608 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.1 t80 82.77 15.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.6 26.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.15 -61.54 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.428 1.08 . . . . 0.0 111.062 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.56 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.5 OUTLIER 178.6 175.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 0.802 . . . . 0.0 110.454 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.56 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.7 OUTLIER -71.86 122.79 21.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 0.0 110.269 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.584 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 6.6 m95 -51.36 -86.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.672 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 106.8 153.01 19.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.672 ' C ' ' O ' ' A' ' 84' ' ' GLY . 1.0 OUTLIER 9.56 72.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 0.725 . . . . 0.0 110.389 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 84' ' ' GLY . 4.8 p -121.11 131.5 72.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -81.75 113.56 19.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.63 ' SG ' ' CE1' ' A' ' 73' ' ' PHE . 1.5 m -45.13 -46.21 11.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.284 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.401 ' HB ' ' HB2' ' A' ' 112' ' ' PHE . 15.1 t -52.2 -33.44 40.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 87' ' ' ASP . 97.1 m -68.5 -25.52 65.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.565 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -128.45 24.37 5.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.077 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 27.28 56.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.561 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 1.5 p -51.41 180.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 108.322 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.468 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 5.3 pm0 -137.47 158.49 44.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.489 ' CG2' ' CG ' ' A' ' 36' ' ' GLN . 14.9 p -133.29 111.06 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.498 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -132.71 -160.58 9.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.414 1.071 . . . . 0.0 111.009 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.503 HD23 ' CB ' ' A' ' 63' ' ' ALA . 1.7 mp -114.53 158.69 21.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.766 . . . . 0.0 109.281 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.28 141.16 23.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.408 ' OD1' ' HB2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -82.99 175.96 9.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.25 -14.91 12.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.34 -10.62 16.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.21 34.89 60.87 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.408 ' HB2' ' OD1' ' A' ' 99' ' ' ASP . 1.0 OUTLIER -61.14 159.83 11.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.424 0.72 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.57 166.85 0.03 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.507 ' HG2' ' CG2' ' A' ' 4' ' ' THR . 18.4 Cg_endo -74.95 -161.1 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -69.72 -124.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.538 ' CA ' ' O ' ' A' ' 5' ' ' ALA . . . -128.84 -83.63 0.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 6' ' ' THR . 7.5 p -153.57 150.37 12.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.488 0.758 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.04 110.89 15.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.523 HG22 ' CD1' ' A' ' 13' ' ' LEU . 3.2 mt -97.23 138.38 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.499 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -93.0 87.31 5.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.617 ' CE1' ' HB3' ' A' ' 88' ' ' CYS . 14.4 m-85 -68.78 120.9 15.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.409 ' H ' ' N ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -149.33 64.53 7.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.527 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.02 103.41 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.527 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 1.5 p -161.98 135.48 6.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 110.408 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.501 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -99.9 166.13 11.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.501 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 3.5 p -153.01 155.73 37.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.388 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.588 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 6.7 t -126.91 141.13 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.586 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.13 -60.82 0.53 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.399 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.588 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.09 -163.88 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 110' ' ' ILE . 12.8 p -148.12 -26.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.037 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.613 ' HA ' ' O ' ' A' ' 111' ' ' SER . 81.2 p -169.79 167.76 9.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 75.77 23.46 72.4 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.517 1.135 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.496 ' CD1' HG21 ' A' ' 110' ' ' ILE . 4.9 mt -71.56 -143.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.317 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.452 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.7 t -161.4 161.14 30.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.527 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 37.0 t0 -57.56 90.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.369 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.433 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 97.29 40.23 3.77 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.445 1.091 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.452 ' OG1' ' N ' ' A' ' 14' ' ' SER . 1.1 m -71.14 82.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.363 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 6.0 t -71.51 94.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.9 m -127.63 169.9 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -56.09 141.77 39.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.521 HG21 ' CG1' ' A' ' 7' ' ' VAL . 67.8 t -144.44 140.24 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' N ' HG11 ' A' ' 21' ' ' VAL . . . -139.78 155.8 47.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.581 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 106.33 172.05 23.12 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.581 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 156.58 -156.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.336 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' H ' ' HB2' ' A' ' 24' ' ' ALA . . . -63.49 -3.13 6.67 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.625 ' N ' ' HH ' ' A' ' 32' ' ' TYR . 4.0 tp 51.91 68.32 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.756 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.568 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -94.55 -85.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.24 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.568 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 158.14 99.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 44.63 38.04 5.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.1 m -109.27 155.3 21.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 110.458 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.8 147.78 48.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.625 ' HH ' ' N ' ' A' ' 26' ' ' LEU . 6.3 m-85 -146.4 78.21 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' SER . 2.4 t70 -55.65 119.96 6.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.533 ' CG2' ' HB3' ' A' ' 53' ' ' SER . 46.2 t -55.56 157.48 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -122.65 -72.69 0.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 111.057 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.1 tp60 69.91 106.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 0.783 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.596 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 49.0 m -127.53 179.09 5.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 108.328 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.586 ' CB ' ' SG ' ' A' ' 93' ' ' CYS . . . -124.75 77.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -65.94 103.89 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.052 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.497 HG21 ' CB ' ' A' ' 91' ' ' ALA . 4.0 t -109.0 -129.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.1 -174.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.5 m -72.52 90.94 1.36 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.5 -7.58 36.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.568 1.167 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.546 HG11 ' CZ2' ' A' ' 83' ' ' TRP . 24.6 t -89.55 54.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.786 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 77' ' ' LEU . 3.6 tt -98.76 100.67 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.424 ' HB2' ' C ' ' A' ' 75' ' ' GLY . . . -85.11 92.25 8.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.596 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -67.82 160.64 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 108.323 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 63.6 t30 -114.16 83.12 7.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.1 30.45 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.631 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . . . -135.72 8.24 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -55.68 -56.39 20.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.631 ' CE1' ' HA ' ' A' ' 50' ' ' ALA . 11.2 m-85 70.18 -40.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.533 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 1.5 m -38.62 152.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.051 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.7 p -148.98 141.27 24.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 110.054 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.485 ' CG1' HD13 ' A' ' 97' ' ' LEU . 10.6 p -132.26 172.86 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m -122.31 150.08 42.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.427 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 61' ' ' GLY . . . -81.86 164.26 21.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.637 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.8 p30 -123.71 121.13 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.75 -89.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.637 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.5 m-20 -36.57 -44.99 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.554 ' O ' ' HB3' ' A' ' 57' ' ' ALA . . . 123.18 8.71 6.41 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -88.01 132.54 34.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.978 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -57.69 165.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 65' ' ' THR . 4.7 p -169.12 99.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.17 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.472 HG23 ' CG2' ' A' ' 55' ' ' VAL . 0.6 OUTLIER 179.33 171.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 110.336 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.2 p -81.66 112.68 19.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.097 . . . . 0.0 110.049 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 6.2 mt -107.06 148.91 28.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.463 HG22 ' NH2' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -84.74 106.96 16.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.522 HG13 ' CE2' ' A' ' 112' ' ' PHE . 5.2 t -81.29 64.57 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.58 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.84 144.62 11.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.567 ' HB2' ' CG ' ' A' ' 112' ' ' PHE . 5.7 ttp180 -118.81 -76.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -77.12 97.13 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.436 ' CE1' ' SG ' ' A' ' 88' ' ' CYS . 0.4 OUTLIER -150.89 -177.06 5.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 111.014 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.475 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 3.1 pm0 -110.48 117.63 34.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.424 ' C ' ' HB2' ' A' ' 46' ' ' ALA . . . -107.73 162.83 13.11 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 13.3 m-85 -115.55 133.09 56.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 0.802 . . . . 0.0 111.076 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.611 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 13.4 mt -42.45 -60.43 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER 154.05 -24.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -94.77 -73.33 0.58 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -169.36 29.88 0.15 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.482 ' CG2' HD13 ' A' ' 77' ' ' LEU . 30.0 m -131.56 99.55 4.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.412 0.713 . . . . 0.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.507 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -91.79 159.0 16.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.546 ' CZ2' HG11 ' A' ' 44' ' ' VAL . 90.4 m95 -88.77 -60.21 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 108.047 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.642 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 95.97 154.34 30.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.642 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER 13.43 75.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 110.377 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.7 p -123.07 143.38 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.418 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -82.23 116.16 21.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.644 ' HB3' ' CE1' ' A' ' 112' ' ' PHE . 2.5 m -63.83 -43.97 94.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.0 t -51.72 -20.87 2.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.188 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 17.9 m -87.59 -16.51 34.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.454 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.497 ' CB ' HG21 ' A' ' 40' ' ' VAL . . . -128.21 16.34 6.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 35.35 66.11 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.586 ' SG ' ' CB ' ' A' ' 38' ' ' ALA . 55.5 m -53.21 176.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 108.266 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.446 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 16.9 pm0 -141.49 154.9 45.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 95' ' ' VAL . 8.1 p -120.99 101.16 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.19 165.37 12.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.485 HD13 ' CG1' ' A' ' 55' ' ' VAL . 1.7 mm? -104.78 142.64 34.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 0.773 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -119.72 143.25 47.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.99 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.672 ' HD2' ' HB2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -107.05 -179.63 3.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.02 11.89 4.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.2 -11.53 11.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 71.99 46.23 37.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.672 ' HB2' ' HD2' ' A' ' 99' ' ' ASP . 2.4 m-20 -51.45 -171.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 0.721 . . . . 0.0 109.378 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.96 147.84 50.29 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -160.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 59.93 -173.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.214 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 5' ' ' ALA . . . 176.61 -53.37 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 5' ' ' ALA . 1.5 p -179.96 120.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.787 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.16 112.72 23.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.497 ' CD1' HG23 ' A' ' 7' ' ' VAL . 5.0 mt -114.14 153.47 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.613 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -98.47 123.27 42.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.963 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.644 ' CE1' ' HB3' ' A' ' 88' ' ' CYS . 5.9 m-85 -90.64 126.84 36.09 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.477 ' H ' ' N ' ' A' ' 13' ' ' LEU . 1.2 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.521 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . . . -124.22 -177.74 0.58 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.542 ' C ' ' CG2' ' A' ' 4' ' ' THR . 18.4 Cg_endo -74.98 116.26 4.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.542 ' CG2' ' C ' ' A' ' 3' ' ' PRO . 0.5 OUTLIER 173.6 163.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.403 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.437 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -103.06 161.73 13.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.437 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 19.2 p -150.4 158.56 44.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.622 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 2.2 t -95.05 131.5 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.513 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.39 -57.11 1.18 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.07 -160.3 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.448 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 89.4 p -155.3 26.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.986 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.532 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -165.58 56.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -43.19 -25.08 0.37 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.547 1.154 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.58 ' HA ' ' N ' ' A' ' 113' ' ' ASN . 1.1 mt 41.45 -88.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.617 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -33.86 118.6 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.144 . . . . 0.0 110.043 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.509 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 5.6 p-10 -60.56 110.04 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 109.367 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.2 30.07 15.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.493 ' CG2' ' CA ' ' A' ' 12' ' ' GLY . 6.2 t -70.38 94.74 0.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 110.429 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.7 t -77.29 94.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.622 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 16.7 m -111.32 179.28 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' O ' HG22 ' A' ' 21' ' ' VAL . 74.4 mttt -69.49 140.4 53.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.482 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 75.6 t -142.31 140.49 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -141.27 155.69 45.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.614 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 107.83 176.12 22.3 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.614 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 153.94 -161.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -62.94 -2.26 4.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.506 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.1 tp 49.61 62.14 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.508 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 4.5 tp60 -92.57 -102.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.427 ' N ' ' CG ' ' A' ' 27' ' ' GLN . . . -176.0 95.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.54 19.79 3.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.489 ' CB ' ' HG2' ' A' ' 27' ' ' GLN . 1.0 OUTLIER -81.34 158.48 24.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 110.393 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.69 148.43 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.576 ' CE2' ' HB1' ' A' ' 24' ' ' ALA . 2.1 m-85 -143.83 80.23 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.088 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 98' ' ' SER . 0.4 OUTLIER -51.15 115.64 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.526 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 45.7 t -58.7 146.55 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -128.56 -166.45 11.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.579 1.174 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 170.04 113.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 4.7 m -128.26 170.79 12.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 108.289 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.492 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -139.73 125.89 19.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.43 125.43 40.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 108.018 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.475 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 39.9 t -109.44 -28.28 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER 179.33 175.16 0.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.1 m -56.68 89.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.54 -11.8 39.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 2.3 t -95.1 42.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -99.18 104.77 16.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.398 1.061 . . . . 0.0 109.363 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.719 ' CB ' ' CD1' ' A' ' 83' ' ' TRP . . . -94.77 116.17 28.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.444 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 0.5 OUTLIER -84.83 163.11 19.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 108.276 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.659 ' ND2' ' CD1' ' A' ' 73' ' ' PHE . 8.7 t-20 -113.73 88.26 13.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.595 1.184 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.1 Cg_endo -74.97 38.17 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -134.1 3.76 3.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.6 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -43.33 -52.08 6.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 16.8 m-85 62.8 -57.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.6 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.3 m -30.63 146.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.951 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.0 p -141.98 136.81 30.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 56' ' ' THR . 2.6 p -126.09 165.92 23.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.453 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.1 m -123.38 151.2 42.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -80.91 170.2 16.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.9 p30 -129.84 120.09 24.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.33 -89.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.621 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.8 m-20 -36.24 -46.02 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.508 ' HA3' ' C ' ' A' ' 27' ' ' GLN . . . 127.11 2.08 6.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.96 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.469 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 34.1 t -79.74 136.82 36.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.756 . . . . 0.0 110.034 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -76.26 154.23 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.434 ' O ' ' HB ' ' A' ' 65' ' ' THR . 39.2 m -155.89 107.38 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.485 ' CG2' ' CD1' ' A' ' 67' ' ' LEU . 1.6 t -178.18 178.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.4 m -93.14 122.8 35.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.516 ' CD2' HG23 ' A' ' 34' ' ' VAL . 6.8 mp -114.57 147.05 40.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.363 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.559 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 4.5 t -89.19 116.46 27.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.611 HG11 ' CE2' ' A' ' 112' ' ' PHE . 1.5 t -87.15 60.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.559 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.3 OUTLIER -38.72 133.34 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.243 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.509 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 1.6 ttp180 -89.14 -58.87 2.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 85.0 p -120.81 141.64 50.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.055 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.659 ' CD1' ' ND2' ' A' ' 48' ' ' ASN . 12.4 p90 -175.75 -173.81 0.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -109.49 142.22 40.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 83' ' ' TRP . . . -147.74 -160.83 9.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.64 ' CZ ' ' CB ' ' A' ' 82' ' ' ARG . 1.4 m-85 -145.75 141.21 27.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 12.4 mt -63.94 -51.47 64.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.0 t80 80.47 14.02 0.81 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -171.12 32.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.06 -61.99 0.04 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.517 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -174.67 173.59 2.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.417 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.64 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -73.22 147.95 44.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.719 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -94.13 -155.56 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 107.98 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -168.57 170.95 42.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.467 ' HA ' ' C ' ' A' ' 73' ' ' PHE . 22.8 m -62.79 75.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.377 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 84' ' ' GLY . 6.0 p -110.02 166.76 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.232 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.95 118.99 20.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -77.31 -33.2 55.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 108.283 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.511 ' CB ' ' C ' ' A' ' 113' ' ' ASN . 1.2 t -50.37 -29.94 11.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -25.32 64.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -119.27 14.97 13.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 36.84 72.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.646 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 19.1 p -55.77 -169.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 108.284 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.499 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 0.7 OUTLIER -148.38 154.83 40.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.46 HG11 ' CG2' ' A' ' 7' ' ' VAL . 8.5 p -131.76 128.9 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -148.5 -177.62 22.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.57 1.169 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.57 HD22 ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -79.84 146.76 32.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 0.721 . . . . 0.0 109.318 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -137.7 122.12 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -93.64 166.5 12.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.45 36.8 0.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -167.5 -37.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -80.4 -61.95 2.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.589 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.7 OUTLIER 36.23 -161.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 0.781 . . . . 0.0 109.351 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.589 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 96.88 170.59 33.98 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.34 4.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -166.99 34.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.25 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.414 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -80.96 176.91 54.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.499 ' N ' ' HB2' ' A' ' 94' ' ' GLN . 7.3 p -105.39 121.79 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.6 113.0 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.465 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -116.89 149.0 19.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.442 ' N ' HG21 ' A' ' 110' ' ' ILE . 6.3 m -89.1 92.8 9.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.646 ' CE1' ' SG ' ' A' ' 93' ' ' CYS . 37.7 m-85 -87.09 165.66 15.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.58 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 12.0 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.625 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -146.11 53.66 1.91 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.625 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.1 Cg_endo -75.01 75.39 3.71 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 110.951 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -172.74 145.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.412 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.472 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -101.31 161.98 13.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.472 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 1.7 p -151.94 161.03 43.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.53 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.5 t -117.7 139.9 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.368 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.512 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -37.2 -57.27 1.38 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.452 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.53 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.97 -165.49 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.44 18.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.509 ' CA ' ' O ' ' A' ' 111' ' ' SER . 59.9 p -152.5 114.11 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.036 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.657 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -78.19 6.31 50.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.657 ' C ' ' O ' ' A' ' 12' ' ' GLY . 12.5 mt -15.75 -58.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.6 OUTLIER -72.61 101.35 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.414 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 11.9 p-10 -49.55 101.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 100.49 34.38 4.76 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 m -65.2 86.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 8.5 t -77.59 96.78 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.467 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 33.4 m -125.41 -176.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 65' ' ' THR . 73.1 mttt -72.03 148.89 45.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.358 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.523 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 3.4 t -139.1 138.71 41.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.23 149.61 49.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.668 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 103.81 -176.57 24.0 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.668 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 149.32 -157.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 0.747 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.35 -1.45 4.37 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.55 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.5 OUTLIER 44.46 66.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.588 0.816 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.482 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 6.1 tp60 -87.71 -105.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 27' ' ' GLN . . . 172.57 77.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.52 52.01 6.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.42 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -123.56 164.21 19.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 110.401 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.42 ' N ' ' CG2' ' A' ' 30' ' ' THR . . . -78.48 149.3 33.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.407 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 2.9 m-85 -140.08 75.66 1.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.475 ' HA ' ' CB ' ' A' ' 54' ' ' SER . 0.3 OUTLIER -62.7 115.3 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.234 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.57 ' CG2' ' CB ' ' A' ' 53' ' ' SER . 73.5 t -39.47 150.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.597 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -130.51 -86.19 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.597 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER 75.28 116.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.575 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 48.3 m -128.01 177.49 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -122.37 137.83 54.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.224 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.533 ' C ' ' CD1' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -102.2 110.8 22.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 58.0 t -90.23 -114.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.42 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 1.2 t0 -92.37 36.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 69.72 -58.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.53 -9.8 51.86 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.463 HG12 ' CD1' ' A' ' 77' ' ' LEU . 22.1 t -127.62 123.91 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tt -126.59 121.46 32.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -104.14 92.74 4.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.575 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -66.26 165.18 14.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 108.31 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.613 ' ND2' ' CG ' ' A' ' 73' ' ' PHE . 11.0 t-20 -114.64 85.86 11.93 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.97 39.57 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.439 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -134.82 2.85 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.454 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -41.96 -55.15 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 68.07 -49.61 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.57 ' CB ' ' CG2' ' A' ' 34' ' ' VAL . 30.3 m -50.88 158.59 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.986 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.475 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 96.7 p -166.33 138.87 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.513 ' CG1' HG22 ' A' ' 65' ' ' THR . 1.5 p -137.88 -155.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.495 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -143.21 168.93 18.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.496 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.495 ' N ' ' CG2' ' A' ' 56' ' ' THR . . . -72.35 -170.43 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.688 ' O ' ' N ' ' A' ' 60' ' ' ASN . 57.1 p30 -145.85 134.58 22.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.685 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -12.3 80.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.688 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.4 t30 151.29 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.55 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 122.22 -11.47 9.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.126 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -76.48 139.2 40.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.041 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.1 158.23 21.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.48 ' O ' ' HB ' ' A' ' 65' ' ' THR . 4.6 m -159.21 126.71 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.583 ' OG1' ' N ' ' A' ' 66' ' ' SER . 1.0 OUTLIER 171.35 -115.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.447 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.583 ' N ' ' OG1' ' A' ' 65' ' ' THR . 74.2 m -161.81 137.85 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 110.0 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.523 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 7.0 mp -122.74 163.02 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 t -100.22 97.73 8.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.649 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 3.7 t -72.13 65.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.561 ' HG3' ' CD2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -64.24 124.94 23.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.57 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 14.5 ttp180 -79.2 -73.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.185 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.4 ' N ' ' HG2' ' A' ' 71' ' ' ARG . 30.5 t -90.36 118.48 29.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.04 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.613 ' CG ' ' ND2' ' A' ' 48' ' ' ASN . 22.1 p90 -156.01 -177.87 6.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.6 OUTLIER -89.66 104.19 16.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.12 149.93 25.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.512 ' CZ ' ' HD2' ' A' ' 82' ' ' ARG . 20.1 m-85 -129.4 126.64 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.581 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 1.6 mm? -55.06 -44.95 75.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.581 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.6 t80 81.46 7.05 1.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 111.051 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -120.5 -40.51 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.46 39.26 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.506 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -165.32 168.78 16.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.37 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.512 ' HD2' ' CZ ' ' A' ' 76' ' ' PHE . 5.0 ttt180 -157.21 123.45 4.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.165 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.402 ' HA ' ' CE3' ' A' ' 83' ' ' TRP . 8.9 m95 -68.17 -74.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.594 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 87.84 145.02 9.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.594 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER 20.09 80.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 110.339 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -144.18 144.64 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -75.77 109.19 9.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -68.15 -30.22 69.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 108.271 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -50.69 -22.72 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.429 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.44 -22.59 57.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 92' ' ' ALA . . . -127.69 14.45 6.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 39.12 90.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.652 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 1.7 p -69.65 -173.95 0.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 108.353 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.45 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 19.2 pm0 -142.38 142.98 32.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.231 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.423 HG21 ' NE2' ' A' ' 36' ' ' GLN . 83.8 t -107.46 133.93 50.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -159.46 168.03 35.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.583 1.177 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 32' ' ' TYR . 2.7 mm? -88.04 144.83 26.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 0.734 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -119.95 113.15 20.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.423 ' OD1' ' CB ' ' A' ' 103' ' ' ASN . 0.8 OUTLIER -54.15 178.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.63 -11.73 27.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -113.08 -7.77 13.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.76 40.04 38.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.423 ' CB ' ' OD1' ' A' ' 99' ' ' ASP . 1.3 m120 -96.0 -170.6 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.464 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 47.03 60.72 4.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.5 Cg_endo -74.87 -164.89 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.467 1.772 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.37 60.82 0.16 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 110.27 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -51.88 -100.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.492 ' CG1' HG21 ' A' ' 7' ' ' VAL . 12.9 p -159.71 123.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 0.736 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.44 109.77 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.574 ' CG2' ' N ' ' A' ' 12' ' ' GLY . 11.1 mt -109.5 144.54 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.509 ' O ' ' CA ' ' A' ' 11' ' ' SER . 33.5 m -86.81 97.93 10.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.652 ' CE1' ' SG ' ' A' ' 93' ' ' CYS . 49.5 m-85 -89.02 19.73 4.01 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.576 1.172 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.217 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.25 71.89 71.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.356 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.535 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.6 Cg_endo -74.88 118.67 5.37 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.535 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -179.17 147.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.384 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.499 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -103.97 152.9 21.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.499 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 2.5 p -153.08 162.61 41.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.535 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 4.6 t -110.99 133.79 55.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.609 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.76 -61.86 0.6 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.609 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.99 -90.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.435 1.756 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 1.4 p 89.64 13.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.6 p -161.76 136.26 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.0 36.2 60.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.506 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 12.9 mt -94.34 -147.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.488 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -158.87 167.51 29.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.998 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.449 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 29.1 t0 -62.57 96.54 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.491 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 97.16 33.23 6.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.506 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 3.6 m -76.48 88.26 3.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.9 t -71.34 91.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -111.08 166.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -61.57 133.42 55.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.532 HG23 ' CG1' ' A' ' 7' ' ' VAL . 84.4 t -137.52 141.74 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.425 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -141.87 156.34 45.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.651 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 108.85 178.41 21.59 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 111.048 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.651 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 149.39 -162.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.02 -7.2 2.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 52.1 68.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.588 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 1.4 mp0 -88.35 -95.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.588 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 156.51 73.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.81 67.05 1.61 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.58 1.175 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.408 HG22 ' CE2' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -151.92 156.51 40.23 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.465 0.744 . . . . 0.0 110.324 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.92 154.79 38.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.471 ' OH ' ' HB2' ' A' ' 27' ' ' GLN . 9.9 m-85 -148.94 80.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -50.77 126.41 15.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.487 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 50.8 t -71.14 156.09 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -131.62 -168.31 12.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.3 111.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.294 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.523 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 6.8 m -118.07 179.33 4.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.353 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.605 ' CB ' ' SG ' ' A' ' 93' ' ' CYS . . . -135.05 160.93 36.77 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -99.29 125.19 44.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 107.998 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.423 HG12 ' CE3' ' A' ' 83' ' ' TRP . 2.4 t -113.46 -134.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 40' ' ' VAL . 0.2 OUTLIER -52.33 -175.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.4 m -76.22 89.11 3.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.417 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.25 -6.06 28.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.723 ' CG1' ' CZ2' ' A' ' 83' ' ' TRP . 43.4 t -91.01 127.94 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -123.47 137.29 54.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.416 ' N ' HD12 ' A' ' 45' ' ' LEU . . . -120.05 100.09 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.523 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.3 m -79.05 153.18 30.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.595 1.184 . . . . 0.0 108.323 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.478 ' C ' ' H ' ' A' ' 50' ' ' ALA . 63.7 t30 -110.74 93.8 17.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.15 36.17 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -131.29 2.33 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -43.09 -51.08 6.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.475 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 70.21 -54.1 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 111.07 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.487 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 5.5 m -32.89 148.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.7 p -151.86 141.99 22.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 110.001 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.545 ' CG1' HD13 ' A' ' 97' ' ' LEU . 2.1 p -136.72 168.76 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.51 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.2 m -122.4 148.63 44.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.415 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 61' ' ' GLY . . . -60.89 175.06 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.696 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.6 p30 -134.67 135.6 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.696 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -8.42 80.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.646 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.5 t30 149.41 -39.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.498 ' HA3' ' N ' ' A' ' 27' ' ' GLN . . . 121.7 -2.0 11.07 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.592 1.182 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.522 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -84.23 125.35 32.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 110.059 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -63.61 161.64 14.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' A' ' 65' ' ' THR . 99.8 p -163.65 109.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 66' ' ' SER . 0.5 OUTLIER 177.12 170.86 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.475 ' N ' HG23 ' A' ' 65' ' ' THR . 87.2 p -84.46 115.92 22.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 9.2 mt -104.86 137.58 42.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.381 1.05 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.497 HG21 ' CZ ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -76.73 107.66 9.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.502 HG13 ' CE2' ' A' ' 112' ' ' PHE . 10.0 t -77.59 61.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.568 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -47.02 142.14 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.616 ' HB2' ' CG ' ' A' ' 112' ' ' PHE . 8.2 ttm180 -119.54 -79.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 20.7 p -71.64 118.15 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.656 ' CG ' ' N ' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -178.85 -165.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.656 ' N ' ' CG ' ' A' ' 73' ' ' PHE . 11.3 pt-20 -128.84 120.11 25.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.436 ' CA ' ' CZ ' ' A' ' 73' ' ' PHE . . . -99.36 146.3 17.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.128 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.501 ' CE2' ' HD3' ' A' ' 82' ' ' ARG . 10.1 m-85 -111.13 136.37 50.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.76 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 15.2 mt -47.49 -66.83 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.231 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.486 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER 163.08 -23.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 111.033 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -90.33 -67.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.85 32.32 0.15 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 76' ' ' PHE . 51.6 m -125.04 161.76 26.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HD3' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -159.93 174.79 13.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.723 ' CZ2' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -154.08 -85.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 108.007 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 83' ' ' TRP . . . 26.47 -96.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.584 ' H ' ' HA ' ' A' ' 74' ' ' GLU . 1.2 t 35.65 36.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 72' ' ' SER . 0.3 OUTLIER -167.58 -175.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.489 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.2 OUTLIER -74.13 117.41 15.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.611 ' O ' ' N ' ' A' ' 92' ' ' ALA . 1.8 m -57.95 -33.64 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 108.291 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.44 HG22 ' CB ' ' A' ' 87' ' ' ASP . 9.5 t -46.6 -22.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.489 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -79.75 -22.51 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -118.73 -6.67 10.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.611 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 58.58 64.83 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.605 ' SG ' ' CB ' ' A' ' 38' ' ' ALA . 6.0 m -49.48 176.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 108.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.663 ' N ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -140.04 147.41 40.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.255 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.494 ' CG1' HD11 ' A' ' 110' ' ' ILE . 7.6 p -125.5 112.43 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -121.03 -179.21 16.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.366 1.041 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.545 HD13 ' CG1' ' A' ' 55' ' ' VAL . 0.1 OUTLIER -100.15 152.2 20.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -132.69 116.34 16.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -113.57 -178.29 3.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.241 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 101' ' ' ALA . . . -89.84 35.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.228 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 100' ' ' ALA . . . 166.81 47.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -173.61 -34.71 0.03 OUTLIER Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 0.4 OUTLIER -38.09 157.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 0.794 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 143.81 -173.99 24.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.96 3.68 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.55 1.816 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.24 36.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.82 174.88 48.14 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.568 1.168 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 8.2 p -101.99 116.65 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 109.194 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.37 108.69 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.501 ' CG2' HG12 ' A' ' 69' ' ' VAL . 84.1 mt -109.32 148.41 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.7 m -106.96 106.21 16.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.616 ' CG ' ' HB2' ' A' ' 71' ' ' ARG . 1.6 m-85 -80.72 121.4 25.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' LEU . 35.8 t30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.58 167.4 9.74 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.51 ' C ' ' CG2' ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.0 -173.68 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.51 ' CG2' ' C ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER 67.4 143.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 110.387 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.434 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -73.61 143.65 46.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.443 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 5.8 p -149.48 151.95 34.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.589 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.2 t -123.41 147.3 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.515 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -41.77 -57.57 3.91 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.589 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.89 -151.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.78 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.403 ' H ' ' HB2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER 171.51 -11.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.047 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.518 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 95.4 p -179.18 153.91 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.75 42.86 99.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.018 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.51 ' CD1' HG13 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -105.07 -169.87 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 0.738 . . . . 0.0 109.283 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.95 160.04 20.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.585 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 6.0 p-10 -62.04 119.8 9.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.471 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 76.69 31.78 52.7 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.157 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 69' ' ' VAL . 1.2 m -57.3 85.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.5 t -75.09 88.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.495 ' CG2' ' HD3' ' A' ' 9' ' ' PRO . 34.4 m -119.26 -179.84 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 145.56 50.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.487 ' CG2' HG13 ' A' ' 7' ' ' VAL . 54.3 t -142.4 140.51 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' N ' HG11 ' A' ' 21' ' ' VAL . . . -140.52 161.19 38.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.689 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 95.01 -175.73 33.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 111.056 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.689 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 147.09 -157.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 0.801 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.07 -3.29 4.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.52 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 46.71 60.1 3.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.219 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.461 ' N ' ' HA3' ' A' ' 61' ' ' GLY . 10.8 tt0 -79.95 -97.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.231 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 166.72 100.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.444 ' N ' ' HB1' ' A' ' 57' ' ' ALA . . . 48.55 33.47 12.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.4 m -108.94 159.68 16.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 0.73 . . . . 0.0 110.339 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.59 148.35 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.443 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 3.4 m-85 -146.21 76.82 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.07 129.66 38.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.583 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 33.6 t -67.21 149.57 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -135.84 177.48 19.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.551 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -172.56 107.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.37 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.535 ' O ' ' HB3' ' A' ' 93' ' ' CYS . 5.5 m -118.49 169.53 9.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.252 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -131.71 147.63 52.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.6 ' CE3' ' O ' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -94.57 121.44 36.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.014 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 89.2 t -92.7 -111.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' GLY . 1.9 t0 -90.36 41.4 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.57 ' HA ' ' CD1' ' A' ' 39' ' ' TRP . 0.9 OUTLIER 67.08 -64.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -69.39 -8.18 58.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.9 t -121.97 129.82 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.443 0.731 . . . . 0.0 109.347 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.44 132.8 47.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.21 102.22 10.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.492 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -80.05 158.0 26.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 108.316 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 31.7 t30 -112.3 91.45 16.41 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -75.0 38.38 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.562 1.822 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.96 3.19 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.488 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -41.13 -49.35 3.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.31 -58.23 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.583 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 1.9 m -34.49 150.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 t -149.33 144.66 26.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 56' ' ' THR . 7.7 p -139.05 169.87 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.433 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.4 m -121.47 160.32 24.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.366 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -89.33 148.2 23.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.2 p30 -112.38 119.62 38.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 37.19 -92.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.0 m-20 -43.63 -43.31 5.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.52 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 125.42 6.38 6.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.506 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.5 m -73.28 128.31 35.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.948 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -72.1 156.92 38.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.423 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 78.2 p -155.01 107.21 2.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.079 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 66' ' ' SER . 0.6 OUTLIER -179.79 172.68 1.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.373 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 15.7 m -90.38 132.23 35.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.957 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.484 ' CD1' HG23 ' A' ' 34' ' ' VAL . 6.9 mp -119.68 143.34 47.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.56 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -92.03 97.7 11.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.415 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.627 HG13 ' CE2' ' A' ' 112' ' ' PHE . 2.3 t -67.69 67.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.56 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -54.79 119.1 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 110.33 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.585 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 1.2 ttt180 -80.69 -77.28 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.2 p -79.86 99.07 7.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -143.24 154.92 44.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' HE2' ' NH2' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -79.73 121.38 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.15 151.08 17.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.641 ' CD1' ' O ' ' A' ' 81' ' ' THR . 29.3 t80 -132.9 140.64 47.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.634 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -43.07 -62.65 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.8 OUTLIER 153.11 -27.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 2.6 t70 174.07 56.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.8 -63.09 0.03 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.641 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 1.9 m -137.66 170.07 16.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.433 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.482 ' N ' ' CG2' ' A' ' 81' ' ' THR . 6.1 ttp180 -137.99 149.66 46.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -100.27 -69.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.614 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 92.72 165.0 38.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.614 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER 18.07 78.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.735 . . . . 0.0 110.426 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 54.0 t -114.92 127.01 72.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.41 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -79.97 106.66 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.359 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.731 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . 1.7 m -53.25 -23.16 8.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 108.228 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.509 ' CG2' ' HD2' ' A' ' 71' ' ' ARG . 16.3 p -77.72 5.86 8.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.1 m -119.69 -15.23 8.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.55 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -141.3 13.26 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 27.97 72.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.535 ' HB3' ' O ' ' A' ' 37' ' ' CYS . 4.1 m -52.15 -177.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.297 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.473 ' CG ' ' HA3' ' A' ' 107' ' ' GLY . 14.6 pm0 -140.48 149.75 42.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.497 ' CG1' HG21 ' A' ' 7' ' ' VAL . 10.9 p -123.88 117.02 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -131.48 167.59 22.52 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.411 ' CG ' ' HB1' ' A' ' 24' ' ' ALA . 2.0 mm? -88.86 143.72 26.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 0.748 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.408 ' OG ' ' HB3' ' A' ' 103' ' ' ASN . 0.2 OUTLIER -122.07 130.42 53.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -117.92 -177.0 3.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.38 21.14 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.93 51.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.365 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -174.16 -35.37 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 99' ' ' ASP . 0.6 OUTLIER -39.52 159.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 138.83 -161.67 25.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.469 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.05 111.33 3.3 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.427 1.751 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.3 OUTLIER 169.45 42.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 94' ' ' GLN . . . -76.01 174.1 53.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.46 ' N ' ' HB2' ' A' ' 94' ' ' GLN . 87.4 t -93.43 103.28 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.94 101.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.488 ' CG2' HD21 ' A' ' 13' ' ' LEU . 54.8 mt -111.73 147.98 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.518 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -99.22 108.86 21.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.731 ' CD1' ' HB3' ' A' ' 88' ' ' CYS . 14.4 m-85 -90.75 132.7 35.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 112' ' ' PHE . 3.9 t30 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.98 117.75 20.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' CB ' ' HA2' ' A' ' 25' ' ' GLY . 18.3 Cg_endo -74.98 96.35 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.589 1.836 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.465 ' OG1' ' C ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -174.49 155.47 2.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.416 ' O ' ' CG2' ' A' ' 108' ' ' VAL . . . -94.37 170.48 9.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.359 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.497 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 68.3 p -148.25 152.88 37.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.558 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 22.5 t -100.99 124.48 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.756 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -31.35 -70.33 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.147 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.756 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.04 -90.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 3.9 p 92.43 20.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.2 p -158.68 141.01 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.994 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.55 42.26 93.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.1 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.64 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 6.6 mt -82.65 -146.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 0.74 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.28 166.64 16.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.593 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 18.5 p-10 -63.3 97.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.481 ' H ' ' HA ' ' A' ' 70' ' ' ARG . . . 97.33 35.78 5.12 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.64 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -71.84 89.04 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 0.775 . . . . 0.0 110.409 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 10.8 t -79.87 87.11 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.411 ' CG2' HG12 ' A' ' 7' ' ' VAL . 19.6 m -107.3 -178.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -85.0 133.79 34.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 6' ' ' THR . 41.1 t -129.1 135.69 61.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.46 155.67 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.624 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 103.79 175.25 25.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.624 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 152.45 -158.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 0.806 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.496 ' HA2' ' CB ' ' A' ' 3' ' ' PRO . . . -61.92 -3.12 4.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.572 1.17 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.536 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.2 tp 51.03 59.62 4.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.553 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 16.0 mm-40 -85.4 -98.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 175.1 96.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.215 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.53 21.21 6.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 31' ' ' ALA . 18.8 m -84.58 163.79 19.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 0.753 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.426 ' N ' HG23 ' A' ' 30' ' ' THR . . . -82.56 146.22 29.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.668 ' CD1' ' CD1' ' A' ' 97' ' ' LEU . 4.4 m-85 -142.78 77.42 1.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -43.22 118.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.499 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 54.1 t -59.19 138.81 19.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -134.22 148.19 19.37 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.609 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 1.1 mt-30 -141.23 121.41 13.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.609 0.829 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 m -127.72 178.48 6.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 108.257 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.517 ' CB ' ' SG ' ' A' ' 88' ' ' CYS . . . -149.3 136.38 19.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -86.19 127.72 34.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 107.994 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 41' ' ' ASP . 13.1 t -103.79 -123.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.44 ' O ' ' O ' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -56.21 -161.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.8 m -67.46 -51.13 55.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.46 37.12 3.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.438 1.086 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.506 ' CG1' HD11 ' A' ' 77' ' ' LEU . 11.6 t -130.71 119.28 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 tt -133.97 123.04 23.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -105.53 114.4 28.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.409 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 1.3 m -87.27 165.44 15.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 108.267 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 21.7 t-20 -115.8 84.37 12.84 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.08 42.62 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.96 1.03 3.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.464 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -48.31 -58.45 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.452 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 69.4 -50.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.499 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 1.0 OUTLIER -35.0 153.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.4 p -141.38 130.26 23.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.989 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.491 ' CG1' ' HB1' ' A' ' 63' ' ' ALA . 1.2 p -112.32 154.26 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -113.92 149.16 35.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.385 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -83.87 166.72 17.67 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.603 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.3 p30 -125.91 120.36 30.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.521 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.55 -90.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.603 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.8 m-20 -35.99 -45.8 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.536 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.87 2.43 6.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.436 1.085 . . . . 0.0 110.973 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 39.8 m -78.88 133.11 36.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -66.27 164.26 16.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.434 ' O ' ' HB ' ' A' ' 65' ' ' THR . 35.5 p -172.79 107.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.443 HG22 ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER 178.07 -176.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.417 ' C ' HD13 ' A' ' 67' ' ' LEU . 25.5 p -92.48 128.35 38.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.494 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 2.4 mp -123.27 137.83 54.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.403 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 1.4 t -87.84 89.8 8.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.34 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.614 HG13 ' CE1' ' A' ' 112' ' ' PHE . 8.6 t -74.77 68.5 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.609 ' HG2' ' OE1' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -42.18 158.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.784 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 4.0 ttt180 -103.01 -62.65 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 53.0 p -111.44 144.45 40.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.942 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.6 ' CE2' ' SG ' ' A' ' 88' ' ' CYS . 49.2 p90 -177.18 -168.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.605 1.191 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.409 ' HA ' ' C ' ' A' ' 84' ' ' GLY . 0.6 OUTLIER -100.15 114.12 27.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 110.271 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.35 158.63 17.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -141.0 142.55 34.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 0.76 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.609 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.6 OUTLIER -69.53 -46.32 66.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.609 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.7 t80 83.24 12.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -126.16 -47.42 1.62 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 178.51 38.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.502 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -165.39 169.35 15.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 110.434 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.502 ' N ' ' CG2' ' A' ' 81' ' ' THR . 13.0 ptt85 -148.74 137.32 21.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.467 ' HA ' ' CE3' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -71.28 -80.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.013 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 129.96 165.47 11.63 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.51 ' O ' ' CG2' ' A' ' 85' ' ' THR . 1.1 m -67.31 68.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 110.466 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 84' ' ' GLY . 6.5 p -128.54 171.32 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.464 ' HA ' ' CB ' ' A' ' 72' ' ' SER . 11.3 m-20 -57.65 145.29 34.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.6 ' SG ' ' CE2' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -103.57 -30.39 10.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 108.332 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.496 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -49.56 -33.76 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.43 ' N ' HG22 ' A' ' 89' ' ' THR . 1.0 OUTLIER -68.64 -23.7 64.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -107.05 24.28 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 38.14 59.19 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.562 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.11 -179.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 108.223 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 9.0 pm0 -162.12 156.14 21.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.518 ' CG2' ' HG3' ' A' ' 36' ' ' GLN . 7.5 p -132.3 112.74 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.185 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' CA ' ' HG2' ' A' ' 106' ' ' GLU . . . -128.88 -169.12 12.53 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.561 1.163 . . . . 0.0 110.934 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.668 ' CD1' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.54 147.94 30.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -146.0 97.92 3.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 110.039 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -91.96 169.14 10.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.91 36.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.82 -39.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -79.24 -59.86 2.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.56 1.163 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.49 ' O ' ' O ' ' A' ' 102' ' ' GLY . 12.4 t-20 34.02 -153.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.282 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.26 -162.93 26.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.425 1.078 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.52 35.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.444 1.76 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.428 ' HG2' ' CA ' ' A' ' 96' ' ' GLY . 59.5 mp0 -96.08 -89.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.335 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 125.2 -2.7 8.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 94' ' ' GLN . 75.4 t -75.72 68.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.1 113.06 3.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.526 HD13 ' CG2' ' A' ' 7' ' ' VAL . 66.8 mt -114.51 158.37 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.04 96.31 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.071 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.784 ' CD2' ' HA ' ' A' ' 71' ' ' ARG . 5.8 m-30 -74.76 123.68 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.409 ' O ' ' CG2' ' A' ' 4' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.502 ' N ' ' CD ' ' A' ' 3' ' ' PRO . . . -72.04 -52.63 7.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -75.01 -62.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.489 ' C ' ' N ' ' A' ' 24' ' ' ALA . 1.0 OUTLIER 66.99 155.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.479 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . -90.5 125.4 35.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.494 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 2.9 p -135.79 160.3 38.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.516 HG23 ' CG2' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -104.99 127.7 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.351 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.621 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.03 -62.8 0.35 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.402 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.621 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.0 178.98 6.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.53 1.805 . . . . 0.0 110.96 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.466 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 21.4 t -177.43 27.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.025 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.53 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 7.3 p 172.14 160.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.22 28.33 58.68 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 11' ' ' SER . 7.7 mt -90.95 -145.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.444 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.9 t -158.2 159.66 36.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.529 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 6.5 p-10 -57.17 103.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.447 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 94.3 34.61 6.32 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.505 1.128 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.471 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 1.3 m -70.45 88.23 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.74 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.0 t -73.99 83.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.516 ' CG2' HG23 ' A' ' 7' ' ' VAL . 5.4 m -97.93 -178.82 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -86.42 135.26 33.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 6' ' ' THR . 10.2 p -124.92 134.43 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -135.95 149.78 49.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.644 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 106.38 -179.2 22.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.644 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 150.8 -158.83 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.566 0.803 . . . . 0.0 109.407 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.417 ' H ' ' HB2' ' A' ' 24' ' ' ALA . . . -65.32 -2.11 9.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.561 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.8 tp 46.18 69.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.285 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.457 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 6.4 tp60 -97.56 -82.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 165.22 84.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.64 12.47 19.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.607 1.192 . . . . 0.0 111.061 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.43 ' N ' ' HB2' ' A' ' 57' ' ' ALA . 87.4 m -72.8 152.57 41.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 0.743 . . . . 0.0 110.423 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.506 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -63.0 147.67 49.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.506 ' CD1' ' O ' ' A' ' 31' ' ' ALA . 3.1 m-30 -146.13 77.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.4 OUTLIER -47.37 131.65 13.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.57 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 52.8 t -75.49 151.01 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.452 1.095 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -119.24 -160.98 11.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.125 . . . . 0.0 111.057 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.616 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 5.3 tp60 155.26 99.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.535 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 55.7 m -122.49 -174.68 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.548 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -135.38 82.51 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.448 ' H ' ' NE2' ' A' ' 94' ' ' GLN . 0.3 OUTLIER -68.8 116.82 9.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 107.987 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.482 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 24.2 t -115.4 -31.59 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.406 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -178.81 176.52 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.3 m -56.92 91.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.03 -11.15 44.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.482 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 2.4 t -97.59 40.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.478 0.752 . . . . 0.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 8.1 tt -100.48 96.62 7.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.575 ' HB3' ' CD1' ' A' ' 83' ' ' TRP . . . -73.78 89.94 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.535 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -76.34 142.54 41.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.718 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 5.4 t-20 -114.69 90.76 23.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 39.36 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -130.12 1.55 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.559 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 1.1 p30 -42.85 -51.2 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 18.3 m-30 67.2 -46.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.19 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.57 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.3 m -34.92 155.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.06 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.475 ' CA ' HG22 ' A' ' 34' ' ' VAL . 42.7 t -153.16 146.32 24.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.547 ' CG2' HG22 ' A' ' 65' ' ' THR . 1.9 p -135.6 159.9 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.479 ' N ' HG23 ' A' ' 55' ' ' VAL . 1.1 m -123.57 141.59 51.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 110.399 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.519 ' HB3' ' HA2' ' A' ' 61' ' ' GLY . . . -66.38 177.24 1.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.226 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 60' ' ' ASN . 11.3 p30 -136.0 122.73 21.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.19 -89.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.633 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -39.11 -47.13 1.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.588 1.18 . . . . 0.0 109.337 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.561 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 131.97 -3.98 5.31 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.512 1.133 . . . . 0.0 111.061 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.469 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -73.67 139.8 45.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 0.735 . . . . 0.0 109.985 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.54 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -80.16 156.99 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 65' ' ' THR . 1.4 m -159.58 117.3 2.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.547 HG22 ' CG2' ' A' ' 55' ' ' VAL . 9.0 t -177.09 -142.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.1 m -136.26 126.21 25.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.5 ' CD2' HG11 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -101.46 135.06 43.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.649 ' O ' ' N ' ' A' ' 70' ' ' ARG . 1.2 t -87.16 81.23 8.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.499 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.455 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 6.9 t -58.62 70.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.674 ' HG3' ' CZ ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -68.3 126.31 29.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 110.343 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.529 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 32.0 ttp180 -85.26 -72.33 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 89.5 p -59.91 95.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CE2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -135.62 169.42 17.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -128.36 72.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 83' ' ' TRP . . . -77.52 155.7 43.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 47' ' ' CYS . 50.8 p90 -97.43 136.08 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.526 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 3.0 mm? -34.8 -62.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.526 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER 160.64 -26.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 1.3 t0 171.11 56.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -164.14 -56.8 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.546 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -154.08 171.06 19.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.582 0.813 . . . . 0.0 110.39 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.546 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.0 OUTLIER -112.61 138.27 49.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 45.6 m95 -65.55 -94.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 152.9 166.08 14.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.426 1.079 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.459 ' N ' ' HB3' ' A' ' 74' ' ' GLU . 7.0 m -64.86 70.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 0.796 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 84' ' ' GLY . 5.9 p -110.01 166.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.88 100.52 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' ALA . 1.6 m -43.46 -31.01 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 108.312 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 112' ' ' PHE . 2.7 t -48.73 -22.89 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.399 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.16 -26.03 58.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.466 ' HB1' ' CG2' ' A' ' 40' ' ' VAL . . . -126.85 16.56 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 36.94 75.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.548 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 1.3 m -50.8 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 108.346 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.448 ' NE2' ' H ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -149.14 150.1 32.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.484 ' CG2' HD13 ' A' ' 67' ' ' LEU . 1.4 t -110.32 113.29 43.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -109.5 174.16 17.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.481 HD21 ' CG1' ' A' ' 55' ' ' VAL . 2.5 tm? -112.29 154.76 25.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -136.79 136.16 38.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.025 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.514 ' HD2' ' CG ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -113.19 -177.83 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.28 1.19 12.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.84 -8.48 21.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 69.59 35.42 74.65 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.514 ' CG ' ' HD2' ' A' ' 99' ' ' ASP . 9.2 p-10 -49.36 179.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.575 0.809 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -87.27 -170.65 46.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -164.54 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.437 ' HG3' ' CG2' ' A' ' 108' ' ' VAL . 21.5 tp10 -121.79 -40.53 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 94.78 24.29 18.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.441 ' CG1' HD13 ' A' ' 110' ' ' ILE . 76.7 t -79.01 81.53 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.4 110.15 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.474 HG23 ' CD1' ' A' ' 13' ' ' LEU . 2.1 mt -102.86 131.01 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.53 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -85.67 106.7 17.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.955 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' A' ' 93' ' ' CYS . 37.1 m-85 -81.31 125.27 30.14 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.379 1.049 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.08 144.64 51.02 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.543 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.03 114.35 4.0 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.427 1.751 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.543 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -178.44 148.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.47 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -101.81 155.09 18.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.47 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 13.7 p -151.77 158.47 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.153 . . . . 0.0 110.367 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.546 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.8 t -99.16 134.75 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.395 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.533 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.49 -58.34 0.82 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.546 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.96 -161.52 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.438 1.757 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.99 23.35 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.522 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 66.8 p 179.88 72.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.969 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.494 ' C ' ' N ' ' A' ' 14' ' ' SER . . . -49.63 -25.43 6.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.532 ' HA ' ' N ' ' A' ' 113' ' ' ASN . 0.7 OUTLIER 45.07 20.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 0.768 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.494 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -148.03 122.6 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.52 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 20.9 t0 -59.64 100.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.521 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 99.09 31.62 6.16 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.46 1.1 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.466 HG21 ' CG1' ' A' ' 19' ' ' VAL . 1.0 OUTLIER -63.3 85.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 110.459 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 6.4 t -72.34 98.98 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.517 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 34.6 m -124.94 175.47 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -65.82 148.41 51.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 ' CG1' ' A' ' 7' ' ' VAL . 53.3 t -145.09 143.55 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -147.34 155.94 42.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.627 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 100.53 175.73 29.83 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.627 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 152.54 -161.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.12 -4.95 5.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.153 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.576 ' N ' ' HH ' ' A' ' 32' ' ' TYR . 0.5 OUTLIER 49.93 65.26 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 0.712 . . . . 0.0 109.349 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 33.4 tp60 -85.59 -94.87 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 162.45 100.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' N ' ' HB2' ' A' ' 57' ' ' ALA . . . 49.66 34.45 20.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.445 ' CB ' ' HG2' ' A' ' 27' ' ' GLN . 4.7 m -109.97 152.12 26.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 110.438 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.91 150.06 48.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.576 ' HH ' ' N ' ' A' ' 26' ' ' LEU . 5.9 m-85 -144.83 78.11 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -53.23 121.67 7.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.488 ' CG1' ' CD2' ' A' ' 67' ' ' LEU . 99.1 t -62.09 156.33 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.402 ' HA2' ' CG ' ' A' ' 51' ' ' ASP . . . -151.62 145.73 13.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.429 1.081 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.563 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -136.73 120.82 17.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.455 0.738 . . . . 0.0 110.317 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.486 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 10.9 m -128.76 175.97 8.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.04 135.08 32.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.248 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.58 ' CH2' ' HA ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -102.64 126.99 49.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 107.983 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.412 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 93.5 t -112.36 -27.39 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.547 ' O ' ' CE2' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -160.85 -163.92 1.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.58 ' HA ' ' CH2' ' A' ' 39' ' ' TRP . 1.0 OUTLIER -78.41 -24.68 46.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.419 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.38 11.23 9.14 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.496 1.122 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' CG2' ' HB2' ' A' ' 41' ' ' ASP . 2.8 t -118.63 103.45 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.475 0.75 . . . . 0.0 109.245 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.48 ' CD2' ' HB2' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -137.31 97.94 3.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -88.83 107.28 18.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.1 m -84.8 157.01 21.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.298 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.591 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 57.9 t30 -112.82 91.93 19.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.643 1.214 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -75.02 39.16 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.629 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -133.19 3.24 3.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 109.369 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -44.82 -50.5 10.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 21.7 m-85 63.68 -57.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.574 ' N ' ' O ' ' A' ' 51' ' ' ASP . 3.6 m -31.13 146.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.037 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 p -144.7 141.48 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.511 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 3.9 p -128.49 -179.18 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.88 153.48 51.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 110.365 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 61' ' ' GLY . . . -84.43 145.33 28.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.5 p30 -109.32 120.63 43.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.81 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -43.38 -44.07 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.521 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 124.87 6.08 6.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.498 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.6 t -76.44 132.15 39.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 109.941 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -67.56 157.26 34.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.433 ' O ' ' HB ' ' A' ' 65' ' ' THR . 34.7 p -162.45 103.34 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.511 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.3 174.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.407 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 5.5 m -89.04 127.93 35.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.514 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 5.3 mp -114.74 142.9 45.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.558 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 9.9 t -84.12 97.88 9.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.666 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 23.2 t -69.41 65.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.558 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -58.39 132.28 53.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.52 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 2.3 ttt180 -91.03 -74.06 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.5 t -78.75 109.94 13.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.962 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 48' ' ' ASN . 5.5 p90 -148.58 162.79 38.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.425 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 1.0 OUTLIER -82.77 116.2 22.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.43 146.49 16.49 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.472 ' CG ' ' HB3' ' A' ' 82' ' ' ARG . 9.9 m-85 -125.24 125.3 43.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.06 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.644 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 4.6 mm? -40.8 -68.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.644 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.4 t80 152.44 -19.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.24 -73.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.389 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.74 23.49 0.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.0 m -121.93 158.94 27.95 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 0.752 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.472 ' HB3' ' CG ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -166.94 147.08 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.353 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 62.5 m95 -84.42 -49.23 8.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.056 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 76.72 137.95 0.84 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.554 1.159 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.512 ' O ' ' CG2' ' A' ' 85' ' ' THR . 3.5 t 33.56 46.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 110.411 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.6 p -87.83 147.46 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -77.6 106.8 9.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.696 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -46.4 -31.57 2.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 108.288 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.493 ' CG2' ' HD2' ' A' ' 71' ' ' ARG . 25.6 p -62.34 -34.41 76.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.47 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 87' ' ' ASP . 3.2 m -59.82 -31.58 69.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.639 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -135.8 39.47 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.639 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 18.24 63.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.538 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 1.7 p -45.65 175.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 108.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.499 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 4.9 pm0 -139.39 159.39 42.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.48 ' CG1' HG21 ' A' ' 7' ' ' VAL . 14.6 p -128.56 119.87 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.39 -176.49 14.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.505 HD13 ' CG1' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -106.84 148.74 28.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.8 132.86 40.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -103.28 174.41 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.85 33.76 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 0.0 109.372 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -159.53 -42.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -82.53 -57.72 2.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.482 ' O ' ' O ' ' A' ' 102' ' ' GLY . 10.8 t30 36.57 -157.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.468 ' H ' ' ND2' ' A' ' 103' ' ' ASN . . . 82.45 159.86 26.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.376 1.048 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -74.97 144.86 30.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.438 1.757 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.1 mt-10 163.55 41.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -82.02 -179.19 52.78 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.499 ' N ' ' HB2' ' A' ' 94' ' ' GLN . 8.7 p -101.67 123.85 55.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.424 0.72 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.76 116.49 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.509 HD11 ' CG2' ' A' ' 7' ' ' VAL . 35.5 mt -114.79 153.96 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -93.27 104.98 17.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.043 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.696 ' CD1' ' SG ' ' A' ' 88' ' ' CYS . 3.7 m-85 -96.51 158.89 15.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.532 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 28.4 t-20 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.453 ' HA ' ' CA ' ' A' ' 25' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.559 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . -59.71 -59.1 14.94 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.671 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.4 Cg_endo -74.97 -91.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.404 1.739 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.671 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 171.46 167.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.479 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -106.02 167.51 9.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.479 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 17.3 p -152.59 152.85 32.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.343 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.507 HG11 ' CD1' ' A' ' 110' ' ' ILE . 5.9 p -125.09 150.49 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.485 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.78 -56.06 0.88 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.481 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.534 ' HB2' ' CD2' ' A' ' 13' ' ' LEU . 18.4 Cg_endo -75.03 -161.39 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.8 . . . . 0.0 111.001 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.524 ' O ' HG23 ' A' ' 110' ' ' ILE . 85.6 p -160.91 -29.82 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 111' ' ' SER . 14.1 p -169.44 155.04 5.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.06 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 78.93 28.48 54.33 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 111.066 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.657 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -74.35 -147.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.479 0.753 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.97 166.41 32.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.555 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 5.7 p-10 -62.72 99.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.45 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 86.97 34.7 10.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.523 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -66.41 82.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.404 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 4.9 t -67.09 101.64 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.506 HG21 ' CG ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -125.91 173.58 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 65' ' ' THR . 1.5 tttt -73.9 125.11 27.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -111.44 142.84 22.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.44 160.4 40.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.722 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 74.77 -165.31 54.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.722 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 141.5 -130.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' CA ' ' HA ' ' A' ' 1' ' ' ALA . . . -76.93 -2.92 79.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 46.61 57.27 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -72.96 -90.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 160.39 95.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . 36.25 56.79 1.15 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -133.95 150.64 51.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 110.421 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.03 146.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.371 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.531 ' CE2' ' HB2' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -149.3 81.45 1.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 98' ' ' SER . 10.8 t70 -59.14 120.14 8.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.587 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 7.1 t -55.95 153.1 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -130.51 -156.01 8.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.407 1.067 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 159.28 110.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.521 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 11.1 m -130.01 173.71 10.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.365 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -137.81 133.7 34.3 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 24.8 p-90 -101.56 116.18 32.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 108.027 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 86.1 t -83.15 -109.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.435 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 75.3 m-20 -91.49 36.72 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 69.61 -58.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -62.26 -16.58 54.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.7 t -125.1 123.02 64.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.374 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 tt -132.7 118.0 18.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.409 ' HB3' ' C ' ' A' ' 75' ' ' GLY . . . -103.88 113.36 26.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.449 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -87.35 161.4 17.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 108.281 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.552 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 5.4 t-20 -114.45 89.51 18.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.07 41.84 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.545 1.813 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.35 4.83 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.228 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -37.49 -49.65 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.02 -60.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.587 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.0 m -35.81 153.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.438 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 11.2 p -157.52 142.09 16.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.004 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.599 ' CG2' ' CG2' ' A' ' 65' ' ' THR . 1.2 p -144.84 -157.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.477 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 1.3 m -144.98 163.05 35.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.55 ' HB1' ' O ' ' A' ' 61' ' ' GLY . . . -86.76 170.39 11.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.646 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.1 p30 -124.63 118.84 27.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.526 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.83 -89.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.646 ' N ' ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -36.68 -46.48 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.553 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 124.91 5.85 6.7 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.524 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -85.67 134.08 34.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.971 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -66.8 162.79 20.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' A' ' 65' ' ' THR . 78.6 p -162.48 105.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.599 ' CG2' ' CG2' ' A' ' 55' ' ' VAL . 6.6 t -177.86 -137.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.369 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.509 ' N ' ' OG1' ' A' ' 65' ' ' THR . 18.0 p -138.75 129.01 25.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.506 ' CD2' HG22 ' A' ' 34' ' ' VAL . 5.6 mp -118.96 146.45 44.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.61 ' CG2' ' CZ ' ' A' ' 70' ' ' ARG . 6.5 t -81.22 100.76 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.318 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.67 HG11 ' CD2' ' A' ' 112' ' ' PHE . 99.4 t -67.56 67.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.61 ' CZ ' ' CG2' ' A' ' 68' ' ' THR . 0.6 OUTLIER -63.49 130.17 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.555 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 5.2 ttp180 -102.32 -74.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.4 p -75.92 90.1 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.034 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.547 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 2.9 p90 -135.67 157.95 45.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -81.89 105.99 13.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.341 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.409 ' C ' ' HB3' ' A' ' 46' ' ' ALA . . . -87.13 150.13 22.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.416 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 2.4 m-85 -133.43 137.3 45.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.606 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 1.1 mm? -57.8 -46.73 84.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.606 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.0 t80 83.46 8.9 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 111.041 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.53 -40.69 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 171.59 39.39 0.03 OUTLIER Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.451 ' CG2' ' HG ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -166.51 164.93 17.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 0.765 . . . . 0.0 110.392 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.0 OUTLIER -156.21 132.97 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.424 ' NE1' HG21 ' A' ' 40' ' ' VAL . 20.1 m95 -80.58 -79.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.623 1.202 . . . . 0.0 108.03 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.638 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 102.5 150.82 23.11 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.638 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER 15.93 75.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 110.404 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.7 p -125.16 147.65 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.36 119.62 25.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.607 ' SG ' ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -67.62 -36.79 81.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 108.25 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.539 ' OG1' ' CA ' ' A' ' 113' ' ' ASN . 7.5 t -60.22 -24.4 64.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.4 m -77.7 -24.41 49.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.522 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -125.92 25.16 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 31.27 61.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 1.4 p -53.65 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 108.313 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.446 ' HB2' ' C ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -137.0 147.56 46.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.344 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.518 ' CG2' ' HG2' ' A' ' 36' ' ' GLN . 12.9 p -137.74 104.94 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.51 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -136.51 -161.35 9.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.523 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -93.62 158.14 15.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -148.97 145.31 27.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.683 ' HD2' ' ND2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -70.79 173.24 7.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.06 -7.9 20.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.15 -12.07 10.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 109.247 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 73.21 46.15 28.38 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.683 ' ND2' ' HD2' ' A' ' 99' ' ' ASP . 6.4 p-10 -55.14 -163.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -30.81 105.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -74.99 -155.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.57 1.826 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.588 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 5.2 tt0 93.87 54.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.51 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . -50.31 -91.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 95' ' ' VAL . 12.2 p -160.85 105.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.15 106.78 3.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.579 HG23 ' N ' ' A' ' 111' ' ' SER . 10.5 mt -128.68 151.27 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.579 ' N ' HG23 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -77.29 103.03 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.67 ' CD2' HG11 ' A' ' 69' ' ' VAL . 3.0 m-30 -80.19 5.83 13.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.539 ' CA ' ' OG1' ' A' ' 89' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.477 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . -76.95 -55.25 1.47 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.381 1.051 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.591 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.0 Cg_endo -75.06 151.19 38.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.964 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.591 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 178.31 153.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -109.04 141.5 41.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 5.6 p -146.43 161.05 41.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.458 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.52 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 1.3 p -104.16 169.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.598 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -55.32 -61.77 5.49 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.434 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.598 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.88 167.56 26.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.511 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 43.1 t -132.83 -0.33 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.005 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.437 ' C ' HD22 ' A' ' 13' ' ' LEU . 89.7 p 177.87 149.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.37 28.65 32.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.598 HD22 ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -72.66 -145.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.31 171.98 18.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.567 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 19.6 p-10 -65.31 99.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.448 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 79.61 35.58 28.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.062 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.579 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.8 OUTLIER -64.97 84.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.8 t -69.7 95.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.8 OUTLIER -117.25 177.48 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.41 148.65 49.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.533 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 3.9 p -144.3 149.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -152.65 152.96 32.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.621 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 101.07 177.61 29.13 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.422 1.076 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.621 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 153.07 -156.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.425 ' H ' ' HB2' ' A' ' 24' ' ' ALA . . . -63.55 -1.19 4.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 111.065 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.532 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.3 tp 49.23 59.01 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.459 ' HG2' ' CB ' ' A' ' 30' ' ' THR . 2.4 tt0 -84.54 -98.77 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 30' ' ' THR . . . 176.36 96.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 44.17 24.52 0.58 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.459 ' CB ' ' HG2' ' A' ' 27' ' ' GLN . 32.7 m -91.39 156.6 17.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.784 . . . . 0.0 110.379 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.84 147.97 52.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.573 ' CD1' HD21 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -144.31 78.76 1.59 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -48.42 118.76 2.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.545 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 94.6 t -62.97 147.55 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' OD2' ' A' ' 51' ' ' ASP . . . -134.09 140.55 11.87 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.507 ' HG2' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -131.76 117.92 19.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.759 . . . . 0.0 110.363 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.487 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 7.0 m -129.85 170.56 13.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 108.286 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -133.74 112.64 11.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.477 ' CG ' ' O ' ' A' ' 39' ' ' TRP . 11.1 p-90 -82.12 111.35 18.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 108.01 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.575 HG22 ' CZ2' ' A' ' 83' ' ' TRP . 89.7 t -78.84 -109.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.436 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -91.42 37.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 70.23 -58.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 1.18 . . . . 0.0 110.407 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.27 -15.5 30.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.478 1.112 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.518 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 65.2 t -128.42 135.53 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -137.26 103.26 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.528 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -79.07 92.96 5.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.487 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -80.89 149.23 29.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 108.217 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.631 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 4.0 t-20 -114.11 89.3 16.68 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -74.91 34.92 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.535 1.808 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.97 3.9 3.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.079 . . . . 0.0 109.389 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -43.4 -49.31 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 71.85 -51.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.545 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.8 m -30.82 144.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 62.2 p -139.77 139.05 36.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 63' ' ' ALA . 4.7 p -129.25 154.94 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.426 ' N ' HG23 ' A' ' 55' ' ' VAL . 1.2 m -114.13 152.47 31.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -85.57 169.91 13.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.599 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.8 p30 -129.09 119.03 23.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.32 -90.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.369 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.599 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.7 t-20 -35.97 -44.92 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.532 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.4 1.95 7.07 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.513 1.133 . . . . 0.0 111.05 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 4.0 t -77.81 134.92 37.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.74 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -71.4 160.26 33.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 65' ' ' THR . 65.8 p -162.3 106.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.501 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -179.28 -171.96 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 19.3 m -100.8 128.63 46.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.039 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.533 ' HG ' ' CG1' ' A' ' 21' ' ' VAL . 0.4 OUTLIER -111.15 134.81 52.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.505 HG21 ' CZ ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -80.1 97.99 7.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 110.418 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.666 HG11 ' CD2' ' A' ' 112' ' ' PHE . 83.5 t -67.49 65.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.638 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -58.7 127.16 30.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.361 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.567 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 10.4 ttp180 -88.28 -71.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.2 t -75.7 111.35 10.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.589 1.181 . . . . 0.0 109.981 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.638 ' CZ ' ' HD2' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -139.36 166.03 25.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.514 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 4.3 pt-20 -115.97 71.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.444 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -74.82 152.65 44.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.125 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.706 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -102.54 134.29 46.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 0.772 . . . . 0.0 111.006 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.556 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 10.0 mp -38.17 -66.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.67 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER 158.77 -23.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.16 -36.27 11.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.408 1.067 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 168.79 -29.23 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.5 m -60.35 155.33 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.773 . . . . 0.0 110.417 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -144.35 133.36 22.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.575 ' CZ2' HG22 ' A' ' 40' ' ' VAL . 86.8 m95 -67.97 -67.84 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 107.965 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.534 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 94.43 134.9 7.62 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.534 ' C ' ' O ' ' A' ' 84' ' ' GLY . 2.8 t 27.49 45.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 0.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 84' ' ' GLY . 8.0 p -91.82 141.96 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.43 ' O ' ' HB ' ' A' ' 90' ' ' THR . 12.4 m-20 -72.02 90.31 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -52.97 -32.52 46.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 108.306 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.54 ' OG1' ' N ' ' A' ' 113' ' ' ASN . 2.5 t -63.52 -35.71 81.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.444 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -65.61 -28.94 69.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.434 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -109.08 30.62 6.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.467 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 33.91 54.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.555 ' SG ' ' CE2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -50.86 -178.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 108.283 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.443 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 13.8 pm0 -140.54 152.96 45.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.507 ' CG2' ' HG2' ' A' ' 36' ' ' GLN . 14.3 p -139.95 89.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -119.31 -163.65 12.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.573 HD21 ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -87.41 158.75 18.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 0.799 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.555 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.5 OUTLIER -148.4 108.9 4.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.952 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -74.29 168.05 20.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.9 35.17 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -165.49 -38.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.37 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -77.12 -62.86 2.38 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.438 1.087 . . . . 0.0 110.993 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.562 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.7 p30 34.28 -158.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 109.325 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.505 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 88.24 177.32 47.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.442 1.089 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 98.18 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.541 1.811 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -154.04 19.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -74.7 175.0 50.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.45 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 9.9 p -91.51 103.44 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.571 0.806 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -72.47 106.37 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.236 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.574 HG21 ' CD1' ' A' ' 13' ' ' LEU . 38.4 mt -130.42 151.12 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.548 ' N ' HG22 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -70.81 100.51 1.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.064 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.666 ' CD2' HG11 ' A' ' 69' ' ' VAL . 4.0 m-30 -81.16 12.25 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.54 ' N ' ' OG1' ' A' ' 89' ' ' THR . 33.5 t30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.39 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.708 ' N ' ' CD ' ' A' ' 3' ' ' PRO . . . -77.37 -39.73 2.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.238 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 2' ' ' ALA . 18.5 Cg_endo -75.06 -89.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.527 ' CG2' ' C ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER 67.42 150.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.529 ' CB ' ' HG ' ' A' ' 97' ' ' LEU . . . -77.95 126.2 30.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.455 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 18.5 p -151.45 153.84 35.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.35 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.485 HG21 ' CG2' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -101.16 124.7 55.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.539 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.14 -58.32 0.49 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.95 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.792 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.83 28.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.542 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 64.2 p 176.66 63.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.06 . . . . 0.0 109.979 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.497 ' C ' ' N ' ' A' ' 14' ' ' SER . . . -56.04 -24.38 42.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.562 1.164 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.542 ' CD1' ' O ' ' A' ' 11' ' ' SER . 0.3 OUTLIER 47.04 19.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 0.782 . . . . 0.0 109.347 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.497 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -137.85 118.98 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.993 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.591 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 55.5 t0 -54.66 96.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.521 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 99.0 37.11 4.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.527 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -67.85 78.45 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 0.741 . . . . 0.0 110.432 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 4.6 t -61.89 94.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.523 HG13 ' CG2' ' A' ' 17' ' ' THR . 12.9 m -106.32 -175.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.075 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -86.73 109.82 19.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.472 ' CG2' HD22 ' A' ' 67' ' ' LEU . 8.2 p -102.26 126.01 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -133.05 159.2 40.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.636 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 98.16 176.43 33.23 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.636 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 152.35 -159.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.8 -2.88 3.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.556 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.9 OUTLIER 49.37 64.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.465 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 3.8 mt-30 -91.23 -96.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 172.35 87.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.424 ' N ' ' HB1' ' A' ' 57' ' ' ALA . . . 66.12 15.27 62.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.7 m -71.58 171.8 10.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.397 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.455 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -100.12 142.54 31.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.495 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 21.5 m-85 -137.93 77.25 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.43 127.83 23.69 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.496 HG21 ' CD1' ' A' ' 67' ' ' LEU . 38.6 t -58.01 164.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.488 ' O ' ' HB2' ' A' ' 36' ' ' GLN . . . -133.67 -75.56 0.1 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.5 ' OE1' ' NE ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER 69.45 102.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.572 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 29.4 m -121.67 178.82 4.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 108.337 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.51 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -130.41 91.88 3.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -72.07 113.61 9.3 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.575 1.172 . . . . 0.0 108.007 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.486 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 16.7 t -110.79 -28.32 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER 177.65 174.68 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.38 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.1 m -55.83 91.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.08 . . . . 0.0 110.322 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.33 -10.39 46.69 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.431 1.082 . . . . 0.0 111.096 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.496 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 2.2 t -97.2 40.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.593 0.819 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.479 ' O ' ' CD2' ' A' ' 45' ' ' LEU . 2.6 tt -99.32 96.23 7.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.438 ' CA ' HD11 ' A' ' 77' ' ' LEU . . . -76.59 93.68 3.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.572 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -70.35 154.59 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 108.255 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.507 ' C ' ' H ' ' A' ' 50' ' ' ALA . 24.6 t-20 -115.52 81.17 8.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.94 28.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.472 1.775 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.507 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -126.38 0.09 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -46.75 -53.93 10.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.593 1.183 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.516 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER 78.01 -39.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.444 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 18.0 m -43.27 158.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 34' ' ' VAL . 79.7 p -156.06 143.45 19.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.491 ' CG1' HD22 ' A' ' 97' ' ' LEU . 5.2 p -128.58 146.74 33.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.7 m -108.17 151.79 25.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.424 1.078 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -77.3 170.68 16.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.647 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.5 p30 -131.29 120.47 23.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.521 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.35 -88.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.647 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.9 t-20 -37.61 -46.75 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.187 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.556 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 129.78 -1.38 5.93 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.489 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -77.0 135.99 38.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 0.716 . . . . 0.0 109.984 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -69.42 160.07 32.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.165 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' A' ' 65' ' ' THR . 31.1 p -166.71 110.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.475 HG22 ' N ' ' A' ' 66' ' ' SER . 2.5 t -177.61 -162.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.475 ' N ' HG22 ' A' ' 65' ' ' THR . 87.8 p -107.66 133.61 51.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 1.3 mp -126.66 122.69 35.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.534 ' O ' ' N ' ' A' ' 70' ' ' ARG . 2.7 t -69.56 94.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.529 HG11 ' CE2' ' A' ' 112' ' ' PHE . 98.9 t -64.93 67.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.598 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 0.2 OUTLIER -47.83 146.19 2.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.591 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 0.5 OUTLIER -104.3 -49.55 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.1 p -131.17 144.51 51.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.575 1.172 . . . . 0.0 109.979 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 50.5 p90 -179.97 -167.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.431 ' HA ' ' N ' ' A' ' 85' ' ' THR . 0.0 OUTLIER -88.43 111.6 21.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.372 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -113.0 136.33 13.37 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.604 ' CD2' ' CB ' ' A' ' 82' ' ' ARG . 6.4 m-85 -121.93 131.01 53.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.594 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 6.4 mp -69.26 -49.66 54.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.1 t80 81.49 16.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -165.36 30.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.2 -61.59 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.518 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -169.73 171.64 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 0.762 . . . . 0.0 110.377 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.604 ' CB ' ' CD2' ' A' ' 76' ' ' PHE . 1.8 ptt180 -116.32 115.99 26.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.479 ' HB3' ' CG1' ' A' ' 86' ' ' VAL . 78.7 m95 -60.29 -93.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 107.996 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 106.2 136.04 8.27 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.572 ' O ' ' CG2' ' A' ' 85' ' ' THR . 3.4 t 23.87 52.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 0.719 . . . . 0.0 110.389 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 83' ' ' TRP . 8.0 p -114.9 158.23 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.79 128.02 34.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.59 ' CB ' ' O ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -94.8 -31.48 13.72 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.466 1.104 . . . . 0.0 108.312 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.444 ' HB ' ' HB2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -54.62 -36.86 64.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 1.082 . . . . 0.0 110.376 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.35 -27.99 65.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.464 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -105.28 24.01 12.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 34.54 70.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.08 -179.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 108.348 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 1.3 pt20 -155.77 140.96 17.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.43 ' HA ' ' HG2' ' A' ' 36' ' ' GLN . 3.6 p -105.76 117.86 52.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -144.23 150.95 23.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.529 ' HG ' ' CB ' ' A' ' 5' ' ' ALA . 4.4 pp -103.49 156.88 17.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.53 127.09 28.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.951 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.495 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -100.22 176.19 5.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.19 36.42 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -163.95 -42.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -87.13 -47.29 4.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.465 ' O ' ' O ' ' A' ' 102' ' ' GLY . 12.6 t30 37.34 -158.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.428 ' H ' ' ND2' ' A' ' 103' ' ' ASN . . . 73.95 161.55 7.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 111.055 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 165.56 31.04 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.808 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -98.74 -46.53 5.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.55 14.32 44.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.575 1.172 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 73.0 t -78.04 80.1 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.75 111.5 6.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.662 ' O ' ' CE1' ' A' ' 112' ' ' PHE . 5.4 mt -103.79 149.92 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.439 ' N ' HG23 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -92.01 95.29 9.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.033 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.662 ' CE1' ' O ' ' A' ' 110' ' ' ILE . 1.3 m-85 -91.98 153.8 19.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 111.06 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.529 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 17.9 m-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.485 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . 167.62 -55.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.531 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.4 Cg_endo -74.91 83.38 1.81 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.531 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.7 OUTLIER -166.65 138.3 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.515 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -99.84 167.73 10.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.515 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 2.5 p -154.19 156.84 37.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.456 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.572 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 5.6 t -120.09 133.1 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.065 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.589 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.1 -61.03 0.51 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.36 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.589 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.94 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 0.0 111.062 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.9 t -151.21 23.61 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.082 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.496 ' CB ' HD22 ' A' ' 13' ' ' LEU . 0.6 OUTLIER -156.08 101.18 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.932 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.695 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -79.4 13.18 23.04 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.452 1.095 . . . . 0.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.695 ' C ' ' O ' ' A' ' 12' ' ' GLY . 5.8 mt -8.94 -70.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -59.0 115.0 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.962 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.48 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 9.8 t70 -52.16 101.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.521 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 96.93 36.73 4.9 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 69' ' ' VAL . 2.3 m -62.27 88.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.449 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 4.2 t -75.1 100.71 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.484 HG21 ' CG1' ' A' ' 7' ' ' VAL . 5.2 m -132.89 171.15 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -51.0 141.69 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.527 HG21 ' CG1' ' A' ' 7' ' ' VAL . 18.2 t -147.86 128.32 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.05 160.01 35.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.367 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.622 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 100.32 175.17 30.09 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.622 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 153.75 -158.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.438 ' H ' ' HB3' ' A' ' 24' ' ' ALA . . . -63.08 -2.24 4.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 48.52 60.84 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.265 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.503 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 4.9 tt0 -84.2 -99.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 59' ' ' ALA . . . 169.24 96.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.456 ' N ' ' HB2' ' A' ' 57' ' ' ALA . . . 49.16 39.09 26.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 51.6 m -115.92 156.89 25.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 0.751 . . . . 0.0 110.359 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.04 151.04 41.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.464 ' O ' HG12 ' A' ' 55' ' ' VAL . 1.8 m-85 -148.45 79.35 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.34 124.96 14.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.465 HG23 ' CD1' ' A' ' 67' ' ' LEU . 70.5 t -64.32 150.79 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.7 143.48 11.5 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -132.56 115.85 15.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.597 0.822 . . . . 0.0 110.316 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 93' ' ' CYS . 3.9 m -126.43 172.82 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.498 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -149.51 162.78 39.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 37.4 m0 -90.76 143.05 27.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 107.976 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 t -116.19 -128.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 8.0 m-20 -58.74 -177.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.57 1.169 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.3 m -69.95 89.87 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 110.378 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.52 -7.51 34.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.556 1.16 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.496 ' CG2' ' HB2' ' A' ' 41' ' ' ASP . 98.6 t -95.79 138.11 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 tt -133.14 144.58 50.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.346 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -126.75 122.0 33.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -95.18 159.5 14.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.354 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 32.6 t-20 -112.05 93.29 20.88 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.407 1.067 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.96 39.58 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.459 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -129.25 -0.54 5.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -46.99 -54.0 11.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.354 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 1.2 m-85 63.64 -54.04 0.22 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.578 1.174 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 51' ' ' ASP . 3.4 m -32.81 150.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.964 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.6 p -145.95 141.97 28.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.49 ' CG1' ' HB1' ' A' ' 63' ' ' ALA . 9.0 p -132.81 175.75 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.72 157.3 35.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 0.0 110.434 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 61' ' ' GLY . . . -88.11 155.02 20.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 60' ' ' ASN . 12.8 p30 -117.89 121.23 40.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.65 -91.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.607 ' N ' ' O ' ' A' ' 58' ' ' ASP . 3.6 m-20 -39.73 -44.64 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.52 ' O ' ' HB3' ' A' ' 57' ' ' ALA . . . 124.31 5.3 7.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 13.8 m -80.27 133.2 35.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 0.786 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.55 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -66.98 158.16 31.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.415 ' O ' ' HB ' ' A' ' 65' ' ' THR . 11.7 p -159.02 101.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.489 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.57 173.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 9.5 m -86.66 122.0 29.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 0.7 OUTLIER -113.18 144.93 41.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.598 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -84.99 115.76 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.613 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 2.7 t -84.66 61.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.622 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -44.0 133.7 4.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.48 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 2.4 ttm180 -90.11 -71.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 5.7 p -99.83 152.74 19.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.988 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CZ ' ' CB ' ' A' ' 88' ' ' CYS . 1.8 p90 179.11 -169.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 30.9 mt-10 -98.1 76.08 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.84 140.62 38.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 4.3 t80 -122.04 151.89 40.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 0.78 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 1.6 mm? -62.01 -59.29 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER 159.33 -23.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 0.6 OUTLIER 168.92 53.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.55 -52.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.527 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -172.54 173.19 4.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 110.389 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.527 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.3 OUTLIER -99.74 177.2 5.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.555 ' CG ' ' N ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -156.76 -62.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.555 ' N ' ' CG ' ' A' ' 83' ' ' TRP . . . -34.19 -86.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.425 1.078 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 85' ' ' THR . 1.0 OUTLIER 36.41 32.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.538 ' CG1' ' N ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 179.42 -165.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.381 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.538 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 1.7 m-20 -52.42 120.26 5.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -91.62 -21.68 20.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.162 . . . . 0.0 108.394 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.578 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 3.3 t -50.77 -27.84 8.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -23.66 66.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.681 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -111.94 41.45 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.681 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 13.14 73.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.498 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 2.0 m -70.93 -175.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 108.265 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.536 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 3.5 pm0 -150.92 163.11 39.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.208 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.421 ' HA ' ' HG2' ' A' ' 36' ' ' GLN . 7.3 p -125.46 102.4 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -113.46 163.39 12.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.485 HD11 ' CG1' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -93.58 146.56 23.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.33 136.33 45.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -99.35 176.23 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.88 37.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.08 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.42 -40.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.228 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -80.63 -58.8 2.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.6 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER 39.79 -166.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.6 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 95.32 149.74 26.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -74.93 142.53 28.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.435 1.755 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 3.3 mt-10 165.15 41.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.254 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.85 -167.97 42.97 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.536 ' O ' ' CB ' ' A' ' 94' ' ' GLN . 14.0 p -104.44 134.1 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.68 119.1 20.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.245 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.543 HG23 ' N ' ' A' ' 111' ' ' SER . 49.1 mt -122.85 146.83 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.543 ' N ' HG23 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -80.78 98.43 7.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.035 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.622 ' CE2' ' O ' ' A' ' 70' ' ' ARG . 70.9 m-85 -81.84 10.33 6.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.502 ' N ' ' OG1' ' A' ' 89' ' ' THR . 1.4 m-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.346 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.481 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . -37.39 -55.27 1.91 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.53 ' C ' ' CG2' ' A' ' 4' ' ' THR . 18.6 Cg_endo -74.95 -159.31 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.428 1.752 . . . . 0.0 111.037 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.53 ' CG2' ' C ' ' A' ' 3' ' ' PRO . 0.2 OUTLIER 167.72 173.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.383 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.542 ' CB ' ' CD2' ' A' ' 97' ' ' LEU . . . -99.33 171.15 8.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 5' ' ' ALA . 81.4 p -154.1 156.46 37.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.533 ' CG2' HG21 ' A' ' 21' ' ' VAL . 3.5 t -107.68 132.62 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.626 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.63 -62.74 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.369 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.626 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.0 -160.63 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.567 1.825 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 3.8 t 159.99 28.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.468 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 17.1 p 179.5 141.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.059 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 61.93 36.25 92.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.543 ' CD1' HG23 ' A' ' 110' ' ' ILE . 5.2 mt -92.04 -145.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.86 159.42 39.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.45 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 10.4 p-10 -64.67 99.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.513 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 98.07 29.24 7.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.446 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.7 OUTLIER -71.45 96.8 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.403 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.517 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.6 t -81.25 104.2 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.5 HG23 ' CD ' ' A' ' 9' ' ' PRO . 30.6 m -127.62 171.06 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' O ' HG22 ' A' ' 21' ' ' VAL . 4.0 mttt -60.05 138.89 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.533 HG21 ' CG2' ' A' ' 7' ' ' VAL . 20.5 t -142.29 144.01 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.452 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -146.33 157.65 43.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.596 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 102.48 177.52 27.31 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 155.06 -154.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.33 -2.47 7.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.505 ' N ' ' HH ' ' A' ' 32' ' ' TYR . 5.4 tp 51.44 69.11 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.76 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.475 ' N ' ' HA3' ' A' ' 61' ' ' GLY . 0.8 OUTLIER -93.73 -94.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 167.83 95.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 44.5 43.05 7.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.463 ' CB ' ' HG2' ' A' ' 27' ' ' GLN . 91.4 m -115.08 155.78 26.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 0.795 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.05 148.51 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.505 ' HH ' ' N ' ' A' ' 26' ' ' LEU . 4.9 m-85 -151.15 81.18 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.69 132.51 45.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.53 HG13 ' CD2' ' A' ' 67' ' ' LEU . 95.5 t -76.46 148.54 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -131.0 -167.42 11.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 175.53 111.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 0.758 . . . . 0.0 110.338 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 7.4 m -110.24 175.77 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.585 ' CB ' ' SG ' ' A' ' 93' ' ' CYS . . . -129.75 92.19 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.373 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.435 ' O ' ' O ' ' A' ' 91' ' ' ALA . 22.6 t90 -73.33 105.81 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 107.999 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.519 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 22.0 t -107.98 -25.63 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -172.86 -172.82 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.8 m -54.11 -55.94 22.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.59 32.62 6.12 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.519 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 9.6 t -128.04 44.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.773 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 77' ' ' LEU . 5.8 tt -107.68 110.97 22.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.475 ' HB3' ' CD1' ' A' ' 83' ' ' TRP . . . -97.73 110.34 22.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.504 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -84.15 144.83 28.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 108.31 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 46.6 t30 -117.69 80.32 13.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 23.22 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.497 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -116.66 2.1 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.744 ' HD2' ' HB2' ' A' ' 53' ' ' SER . 0.0 OUTLIER -36.59 -34.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.603 1.189 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER 76.49 -55.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.972 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.744 ' HB2' ' HD2' ' A' ' 51' ' ' ASP . 3.5 m -38.61 154.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.938 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -155.91 145.61 21.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.551 ' CG1' HD11 ' A' ' 97' ' ' LEU . 2.4 p -141.02 168.33 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.497 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.0 OUTLIER -115.44 152.7 32.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.47 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.543 ' HB1' ' O ' ' A' ' 61' ' ' GLY . . . -78.72 166.63 22.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.618 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.3 p30 -126.69 120.02 28.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.505 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.78 -90.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.618 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.0 m-20 -36.49 -43.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.543 ' O ' ' HB1' ' A' ' 57' ' ' ALA . . . 121.09 10.58 6.71 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -89.21 131.51 35.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 109.971 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.42 163.9 12.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.1 p -160.05 109.28 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.528 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.4 OUTLIER 174.69 176.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.406 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.467 ' N ' ' CG2' ' A' ' 65' ' ' THR . 91.9 p -88.54 121.74 31.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.53 ' CD2' HG13 ' A' ' 34' ' ' VAL . 11.0 mp -109.57 145.51 36.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.52 HG21 ' CZ ' ' A' ' 70' ' ' ARG . 7.5 t -91.29 101.79 14.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 110' ' ' ILE . 1.8 t -74.74 62.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.52 ' CZ ' HG21 ' A' ' 68' ' ' THR . 0.2 OUTLIER -50.2 137.28 18.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 110.297 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.616 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 4.8 ttm180 -113.71 -71.93 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 110.267 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.5 p -59.77 84.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.653 ' CD2' ' N ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -177.79 -176.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.653 ' N ' ' CD2' ' A' ' 73' ' ' PHE . 3.2 mt-10 -159.44 162.62 35.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -127.99 -159.55 10.1 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.411 1.07 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 4.4 m-85 -102.46 142.23 33.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 0.811 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.678 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 5.4 mt -72.7 -39.6 66.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.376 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.678 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 5.9 t80 88.05 1.69 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -163.94 24.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.45 33.28 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.578 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 0.5 OUTLIER 65.13 175.28 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 0.784 . . . . 0.0 110.381 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.59 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 10.3 ptt180 -99.27 161.34 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.249 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.519 ' CZ2' ' CG1' ' A' ' 44' ' ' VAL . 20.4 m95 -88.35 -53.46 4.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.452 ' C ' ' HB2' ' A' ' 74' ' ' GLU . . . 129.08 -100.2 0.5 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.471 ' HA ' ' N ' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -150.93 102.09 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 110.407 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.53 ' CG1' ' OE2' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -135.26 166.75 27.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.37 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.43 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.4 OUTLIER -56.69 114.32 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.56 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.7 m -70.05 -40.86 74.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 108.281 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.1 t -44.4 -28.2 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 110.421 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.3 m -70.15 -26.32 63.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.56 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -124.31 11.03 8.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 40.92 72.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.585 ' SG ' ' CB ' ' A' ' 38' ' ' ALA . 23.4 m -54.01 173.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.276 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -138.46 150.19 46.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.42 ' HA ' ' HG2' ' A' ' 36' ' ' GLN . 2.7 p -122.89 121.45 63.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.431 ' CA ' ' HA2' ' A' ' 107' ' ' GLY . . . -129.61 178.99 17.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.551 HD11 ' CG1' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -101.86 152.21 21.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.5 148.09 47.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.036 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.93 -179.69 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.55 -17.2 12.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.39 -7.48 53.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 82.48 1.67 90.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.406 1.066 . . . . 0.0 110.943 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.47 ' O ' ' O ' ' A' ' 102' ' ' GLY . 30.6 t30 35.14 -154.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -126.05 179.48 16.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.404 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -75.07 135.49 19.02 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.462 1.769 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.2 OUTLIER 172.23 38.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.431 ' HA2' ' CA ' ' A' ' 96' ' ' GLY . . . -69.77 -179.05 23.51 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 5.2 t -104.15 119.02 52.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.44 114.53 6.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.543 HG23 ' CD1' ' A' ' 13' ' ' LEU . 6.0 mt -113.05 141.43 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.486 ' N ' HG22 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -94.53 103.89 15.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.987 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.616 ' CD2' ' HB2' ' A' ' 71' ' ' ARG . 2.1 m-85 -85.12 126.84 33.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.581 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . -69.14 -60.43 4.23 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.585 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.4 Cg_endo -75.04 116.77 4.68 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.585 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 179.8 153.65 0.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.441 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.554 ' CB ' ' CD2' ' A' ' 97' ' ' LEU . . . -92.25 173.99 7.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.516 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 33.2 p -151.07 152.7 33.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.451 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.583 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.1 t -97.97 115.51 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.641 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -32.24 -64.27 0.24 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.641 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -74.91 -78.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.502 ' HA ' ' CG2' ' A' ' 110' ' ' ILE . 26.4 t 70.24 31.06 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.971 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.476 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 78.2 p -171.89 131.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.61 34.54 63.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' CD1' HG22 ' A' ' 110' ' ' ILE . 9.9 mt -90.6 -148.2 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 109.385 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -166.86 163.95 16.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.963 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.433 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 17.8 p-10 -61.3 87.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.459 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 110.39 34.36 2.31 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.524 1.14 . . . . 0.0 111.053 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 1.5 m -86.43 94.69 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.407 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.5 t -75.73 98.75 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.476 ' CG2' HG11 ' A' ' 7' ' ' VAL . 13.1 m -115.64 174.24 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -72.88 148.17 44.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.516 ' CG1' ' O ' ' A' ' 6' ' ' THR . 76.3 t -145.15 140.67 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.46 157.63 46.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.719 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 100.28 -172.53 24.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.428 1.08 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.719 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 141.56 -153.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.427 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -61.39 -6.02 7.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.46 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER 46.95 64.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 0.783 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.528 ' OE1' ' CZ ' ' A' ' 32' ' ' TYR . 21.4 mt-30 -90.46 -100.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.249 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.426 ' N ' ' HA2' ' A' ' 61' ' ' GLY . . . 174.14 80.39 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.13 22.59 78.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 90.1 m -90.04 174.04 7.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 110.377 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.62 149.09 21.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.528 ' CZ ' ' OE1' ' A' ' 27' ' ' GLN . 9.9 m-85 -144.0 78.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -49.62 127.77 16.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.531 ' CG2' ' CB ' ' A' ' 53' ' ' SER . 58.2 t -50.8 146.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.555 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -114.89 -90.27 1.71 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.549 1.156 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.555 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER 72.58 113.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.783 . . . . 0.0 110.35 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.556 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 43.9 m -129.36 -179.3 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 108.324 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.32 177.03 11.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.512 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 2.2 t-105 -111.16 136.24 50.51 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.578 HG12 ' CH2' ' A' ' 83' ' ' TRP . 43.0 t -71.53 -101.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.513 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 2.9 t0 -173.74 35.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.485 ' O ' ' N ' ' A' ' 44' ' ' VAL . 1.0 OUTLIER 178.66 84.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 110.414 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 42' ' ' THR . . . 34.4 33.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' THR . 39.6 t -122.76 144.39 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -122.17 120.3 33.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -105.92 110.59 22.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.533 ' O ' ' CA ' ' A' ' 75' ' ' GLY . 1.1 m -78.36 173.62 12.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 108.261 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 8.3 t-20 -119.45 72.57 14.43 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.503 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.02 39.93 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.459 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -128.1 -2.67 5.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.456 ' CB ' HG12 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -46.9 -59.35 3.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.069 . . . . 0.0 109.266 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.422 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 70.81 -8.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.531 ' CB ' ' CG2' ' A' ' 34' ' ' VAL . 8.5 m -80.3 165.74 22.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.976 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 10.4 p -152.46 139.79 19.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.515 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 8.3 p -122.45 155.82 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -114.33 139.86 49.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.434 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -59.92 -176.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.692 ' O ' ' C ' ' A' ' 59' ' ' ALA . 54.2 p30 -142.29 131.94 24.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.692 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -7.94 77.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.689 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.0 t30 151.54 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.46 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 124.06 -14.13 7.95 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.39 1.056 . . . . 0.0 111.035 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -70.32 130.52 42.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.908 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -78.83 162.97 25.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.2 p -164.96 112.31 1.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.515 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.11 172.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.395 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 90.7 p -89.06 116.31 27.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.163 . . . . 0.0 109.977 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 4.8 mp -101.94 151.84 21.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.3 96.64 9.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.347 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.666 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 6.3 t -76.4 65.44 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.527 ' NH2' ' CB ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -67.38 148.29 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.607 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 7.3 ttm180 -118.4 -73.52 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -67.1 102.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.607 ' CD2' ' O ' ' A' ' 71' ' ' ARG . 10.9 p90 -165.46 -177.59 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HB3' ' N ' ' A' ' 85' ' ' THR . 1.1 pt-20 -123.6 114.12 19.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -86.97 -166.21 42.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.55 ' CE2' ' O ' ' A' ' 80' ' ' GLY . 2.8 m-85 -133.15 137.32 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.617 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -39.03 -59.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.617 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER 153.32 -20.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.977 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.41 -29.61 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.55 ' O ' ' CE2' ' A' ' 76' ' ' PHE . . . 155.2 -22.63 0.58 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.12 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 m -61.9 136.24 57.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 110.461 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.45 164.47 26.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.578 ' CH2' HG12 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -104.76 -86.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 107.994 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 163.97 141.13 3.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.563 ' O ' ' CG2' ' A' ' 85' ' ' THR . 10.2 t -69.07 73.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.413 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 11.5 p -109.52 163.64 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.601 1.188 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.437 ' O ' ' HB ' ' A' ' 90' ' ' THR . 5.8 m-20 -77.21 106.17 8.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.654 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -43.16 -33.93 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.359 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 112' ' ' PHE . 4.0 m -50.13 -25.93 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.437 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.2 m -74.58 -24.33 58.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.44 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.586 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -127.16 27.77 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.586 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 24.86 59.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.251 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.616 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 15.5 p -48.04 177.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 0.0 OUTLIER -136.28 159.88 40.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.496 ' CG2' HG13 ' A' ' 69' ' ' VAL . 2.8 t -125.51 116.05 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' HA3' ' CB ' ' A' ' 106' ' ' GLU . . . -135.63 -171.14 12.28 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.561 1.163 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.554 ' CD2' ' CB ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -110.91 152.3 26.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 0.753 . . . . 0.0 109.26 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.0 126.58 34.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.564 ' OD1' ' CA ' ' A' ' 102' ' ' GLY . 0.2 OUTLIER -97.18 -174.45 2.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.69 36.14 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.13 -55.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.564 ' CA ' ' OD1' ' A' ' 99' ' ' ASP . . . -78.07 -12.82 83.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.457 ' N ' ' OD1' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -37.56 157.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.31 -128.81 7.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.083 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 116.39 4.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.402 ' CB ' ' HA3' ' A' ' 96' ' ' GLY . 19.4 mm-40 -101.77 -70.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' A' ' 108' ' ' VAL . . . 122.99 -157.45 17.51 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.155 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' A' ' 107' ' ' GLY . 15.2 t 82.39 71.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.326 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.09 111.83 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.523 HD12 ' CG2' ' A' ' 7' ' ' VAL . 1.8 mp -103.83 144.78 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.476 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -87.77 100.94 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.666 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 41.1 m-85 -91.28 136.53 33.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 53.9 t30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 179.982 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.58 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . -85.21 -60.62 0.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.589 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.91 164.56 33.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.445 1.761 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.589 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER 178.51 154.9 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.497 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -103.76 166.55 10.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.514 ' HA ' ' CG1' ' A' ' 108' ' ' VAL . 3.4 p -153.17 159.74 42.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.504 ' CG2' HG21 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -103.32 133.29 47.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.601 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.07 -61.55 0.48 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 0.0 110.425 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.601 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.06 -86.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 1.1 p 87.55 22.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.492 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 13.9 p -171.29 134.91 0.92 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.908 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.81 37.26 83.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.491 ' CD1' HG22 ' A' ' 110' ' ' ILE . 2.5 mt -77.16 -146.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 0.706 . . . . 0.0 109.379 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.473 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.7 t -165.78 162.22 18.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.424 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 8.0 p-10 -55.44 87.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.438 1.086 . . . . 0.0 109.357 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.494 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 96.78 42.24 3.39 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.477 ' CB ' ' HB3' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -73.43 89.0 1.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 110.391 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.3 t -76.58 85.38 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 66' ' ' SER . 17.1 m -108.69 172.18 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -70.03 146.47 51.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.504 HG21 ' CG2' ' A' ' 7' ' ' VAL . 1.3 t -139.98 148.2 23.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -143.61 151.04 39.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.712 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 103.68 -172.68 21.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.712 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 144.65 -154.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.72 -3.08 8.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.505 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER 46.69 59.65 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 0.789 . . . . 0.0 109.298 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.525 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 1.8 mm-40 -80.64 -97.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.432 1.083 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 169.03 102.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.426 ' N ' ' HB1' ' A' ' 57' ' ' ALA . . . 46.53 25.71 2.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 94.9 m -97.47 166.73 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.69 147.28 33.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.54 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 4.1 m-85 -146.12 78.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.47 138.46 46.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.558 ' CG2' ' CB ' ' A' ' 53' ' ' SER . 34.9 t -57.49 159.39 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.564 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -121.76 -88.8 0.98 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.577 ' CB ' ' NH2' ' A' ' 70' ' ' ARG . 3.6 tp60 73.64 105.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 0.729 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.568 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 15.9 m -122.56 -179.36 4.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 108.339 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.451 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -145.25 99.47 3.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.633 ' CE3' ' NE2' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -62.81 148.37 47.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 t -132.24 -123.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.66 177.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.3 m -67.17 90.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.1 -19.35 15.28 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' A' ' 77' ' ' LEU . 44.1 t -78.42 123.96 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.494 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 2.4 tt -134.82 125.32 26.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.768 ' CB ' ' HE2' ' A' ' 74' ' ' GLU . . . -110.27 93.97 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.568 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -75.48 156.33 35.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.246 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.701 ' ND2' ' CE2' ' A' ' 73' ' ' PHE . 25.4 t-20 -116.06 80.15 8.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.95 31.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -123.23 0.16 8.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.626 ' C ' ' H ' ' A' ' 53' ' ' SER . 1.7 p-10 -38.61 -39.91 0.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.604 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 3.0 m-85 65.23 -15.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.626 ' H ' ' C ' ' A' ' 51' ' ' ASP . 27.7 m -79.65 162.07 25.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.4 p -157.5 148.29 21.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 109.932 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.52 ' CG1' ' HG ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -134.98 164.73 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.505 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 2.0 m -112.64 151.35 30.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -84.62 153.71 23.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.58 ' O ' ' N ' ' A' ' 60' ' ' ASN . 3.5 p30 -117.18 118.77 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.47 -91.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.7 m-20 -40.57 -43.83 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.527 ' O ' ' HB2' ' A' ' 57' ' ' ALA . . . 125.81 5.41 6.39 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.465 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -72.39 127.7 33.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 109.98 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.515 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -77.01 149.88 35.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.439 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 51.8 p -144.06 109.1 4.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.501 ' CG2' ' HB ' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -179.49 167.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.443 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.46 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 93.0 p -89.7 130.4 35.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.958 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -114.34 150.71 34.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.467 ' O ' ' OE1' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -90.95 97.63 11.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.672 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 3.5 t -75.75 63.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.577 ' NH2' ' CB ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -51.54 144.45 10.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.235 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' A' ' 88' ' ' CYS . 8.7 tmm_? -112.09 -60.88 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.9 p -74.89 88.82 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.701 ' CE2' ' ND2' ' A' ' 48' ' ' ASN . 0.4 OUTLIER -178.9 -169.68 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.768 ' HE2' ' CB ' ' A' ' 46' ' ' ALA . 0.2 OUTLIER -158.68 160.34 36.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.45 ' N ' ' OE2' ' A' ' 74' ' ' GLU . . . -114.69 -162.61 14.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 3.7 m-85 -112.56 139.17 48.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.499 ' CD2' ' CD1' ' A' ' 83' ' ' TRP . 1.2 mm? -51.22 -47.7 62.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.497 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.7 t80 75.63 16.38 2.53 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -164.79 28.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.408 ' C ' ' OG1' ' A' ' 81' ' ' THR . . . 178.91 -64.21 0.08 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.418 ' CG2' ' H ' ' A' ' 82' ' ' ARG . 7.5 m -156.74 -145.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 0.797 . . . . 0.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.589 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -142.86 150.61 40.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.54 ' CG ' ' OE1' ' A' ' 74' ' ' GLU . 66.5 m95 -81.07 -71.15 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.26 -103.74 0.61 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.45 ' CA ' ' HB2' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -148.06 99.66 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.78 . . . . 0.0 110.381 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.418 ' O ' ' O ' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -125.0 174.67 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -77.47 102.34 6.85 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.716 ' C ' ' H ' ' A' ' 90' ' ' THR . 2.8 t -71.46 -142.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 108.301 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.59 ' CG2' ' O ' ' A' ' 88' ' ' CYS . 10.9 t 56.16 -5.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.128 . . . . 0.0 110.465 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.716 ' H ' ' C ' ' A' ' 88' ' ' CYS . 0.7 OUTLIER -103.16 -34.99 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.36 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -98.58 -8.14 26.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 72.03 91.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.263 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.645 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -82.51 176.14 9.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 108.32 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.633 ' NE2' ' CE3' ' A' ' 39' ' ' TRP . 7.2 pm0 -143.16 156.07 44.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.485 ' HB ' ' CD1' ' A' ' 110' ' ' ILE . 41.2 t -129.34 112.31 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' HA3' ' HA2' ' A' ' 107' ' ' GLY . . . -139.34 177.37 20.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.52 ' HG ' ' CG1' ' A' ' 55' ' ' VAL . 1.6 mm? -103.48 154.95 18.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.509 0.77 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.5 t -158.4 121.91 3.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.97 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.54 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -87.27 173.94 8.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.531 ' O ' ' CB ' ' A' ' 101' ' ' ALA . . . -85.9 24.97 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 100' ' ' ALA . . . 160.8 42.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -141.44 -52.66 0.04 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -135.15 -166.34 1.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 0.744 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -167.73 -126.79 0.86 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.429 1.08 . . . . 0.0 110.991 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.401 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -75.05 120.09 5.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 167.45 43.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 110.225 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.468 ' HA3' ' CG ' ' A' ' 94' ' ' GLN . . . -67.68 175.61 26.17 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.514 ' CG1' ' HA ' ' A' ' 6' ' ' THR . 3.3 p -102.03 123.97 55.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.541 0.789 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.27 108.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.51 ' CG2' ' HA ' ' A' ' 10' ' ' SER . 9.8 mt -113.34 148.98 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -91.0 107.05 18.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.672 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 45.8 m-85 -85.29 131.52 34.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 1.188 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 41.2 t30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 179.99 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 1' ' ' ALA . . . -37.58 134.94 0.76 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 61.72 5.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.423 1.749 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.523 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 3.6 m -108.63 -6.83 15.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.483 1.115 . . . . 0.0 110.372 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.607 ' CB ' ' HA ' ' A' ' 24' ' ' ALA . . . -72.88 132.67 43.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 5' ' ' ALA . 52.1 p -156.01 152.6 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.572 ' O ' ' C ' ' A' ' 8' ' ' THR . 2.1 t -106.91 118.41 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.774 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -21.44 -71.69 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.394 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.774 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.0 Cg_endo -75.12 -90.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 3.8 p 88.0 32.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.507 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 81.1 p -167.87 146.99 4.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.964 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.88 40.98 50.91 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.491 HD13 ' CG1' ' A' ' 69' ' ' VAL . 11.9 mt -90.09 -148.77 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.448 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.4 OUTLIER -165.05 164.54 20.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.999 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.49 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 6.4 p-10 -58.2 101.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.87 35.47 6.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.488 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 2.0 m -79.72 85.85 5.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 0.753 . . . . 0.0 110.459 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 8.0 t -73.22 100.79 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -118.21 170.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' ' HB ' ' A' ' 8' ' ' THR . 41.4 mttt -66.31 124.82 23.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.503 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 45.0 t -122.39 143.08 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.217 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -140.16 162.71 34.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.725 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 83.68 -163.97 40.89 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.725 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 143.65 -136.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' C ' ' OH ' ' A' ' 32' ' ' TYR . . . -76.14 0.47 62.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 40.96 61.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.537 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 1.1 tp60 -86.01 -97.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 166.59 99.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' N ' ' HB1' ' A' ' 57' ' ' ALA . . . 42.17 57.41 3.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.503 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -136.74 152.65 50.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 0.77 . . . . 0.0 110.414 179.948 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.24 146.73 14.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.44 ' OH ' ' C ' ' A' ' 25' ' ' GLY . 1.6 m-85 -146.87 80.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -57.45 123.48 15.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.575 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 70.7 t -65.21 155.45 6.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -130.36 -157.96 9.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.539 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.0 OUTLIER 159.11 114.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.546 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 29.0 m -128.7 175.86 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 108.327 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -130.94 138.61 49.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.422 ' CD1' ' HA ' ' A' ' 42' ' ' THR . 0.1 OUTLIER -104.87 109.68 21.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 107.997 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.515 HG12 ' CZ2' ' A' ' 83' ' ' TRP . 76.8 t -84.31 -104.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.468 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -92.58 35.39 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.422 ' HA ' ' CD1' ' A' ' 39' ' ' TRP . 0.7 OUTLIER 69.45 -58.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.36 -16.68 63.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 t -120.77 122.7 68.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -126.1 121.53 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.355 1.034 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.475 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -98.9 95.84 7.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.546 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -73.35 156.05 38.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 108.347 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 24.8 t-20 -113.93 89.15 15.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -74.92 34.86 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.526 1.803 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -135.06 6.87 3.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.235 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -39.69 -46.18 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.19 -59.67 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.575 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.7 m -31.88 145.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.0 p -155.39 141.0 17.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.614 1.196 . . . . 0.0 109.954 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.508 ' CG1' ' CD2' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -143.2 -163.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.511 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 0.7 OUTLIER -139.24 170.25 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.406 179.935 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -92.96 160.46 14.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.662 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.8 p30 -119.49 118.3 30.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 33.02 -88.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.253 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.662 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.1 m-20 -40.68 -45.51 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.537 ' HA3' ' C ' ' A' ' 27' ' ' GLN . . . 124.33 4.71 7.55 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.066 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -81.51 140.41 34.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.987 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -82.39 161.12 22.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 65' ' ' THR . 79.7 p -158.77 105.86 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.024 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.505 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.43 170.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.456 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.7 m -85.79 125.14 33.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.512 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 8.6 mp -115.51 141.24 48.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.361 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.569 ' CG2' ' CZ ' ' A' ' 70' ' ' ARG . 6.7 t -80.47 106.86 12.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.672 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 4.5 t -75.99 65.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.613 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -47.35 139.02 6.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.934 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.49 ' HB3' ' HA ' ' A' ' 15' ' ' ASP . 7.0 ttp180 -109.1 -74.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 p -88.18 116.44 26.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.941 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 84' ' ' GLY . 26.2 p90 -156.44 -173.79 4.65 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 74' ' ' GLU . 4.4 tm-20 -113.5 93.79 4.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.409 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -94.87 148.74 19.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.676 ' CZ ' ' HA ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -110.29 138.46 46.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 0.766 . . . . 0.0 110.978 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 9.9 mp -37.62 -64.22 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.676 ' HA ' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER 159.34 -26.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 111.031 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 1.6 t70 173.35 65.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.14 -54.89 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.571 1.169 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -153.83 166.61 32.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 110.408 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.474 ' N ' ' CG2' ' A' ' 81' ' ' THR . 3.7 ptt85 -122.62 143.2 49.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.515 ' CZ2' HG12 ' A' ' 40' ' ' VAL . 60.5 m95 -73.36 -103.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 164.52 174.88 34.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.425 1.078 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.402 ' HA ' ' C ' ' A' ' 73' ' ' PHE . 30.9 m -63.96 69.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.366 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 84' ' ' GLY . 9.5 p -109.77 165.0 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.19 112.16 16.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.54 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.2 p -67.36 -29.02 68.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 108.27 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.454 HG21 ' CD ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -47.03 -23.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.451 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.404 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -75.12 -24.72 58.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.424 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.54 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -123.42 10.93 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.607 1.192 . . . . 0.0 109.308 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 43.33 91.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.634 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 1.7 p -70.99 -170.74 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 108.328 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 17.1 pm0 -145.08 149.18 34.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.449 HG21 ' NE2' ' A' ' 36' ' ' GLN . 87.5 t -126.64 114.35 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -132.33 157.74 22.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.409 1.068 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.508 ' CD2' ' CG1' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -92.08 151.97 20.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.763 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -134.85 146.02 48.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -100.05 174.14 6.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.94 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.66 36.13 0.79 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.53 1.143 . . . . 0.0 109.22 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.11 -40.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -81.84 -55.76 3.08 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.584 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER 38.61 -164.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.801 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.584 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 94.92 176.15 38.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.56 42.6 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -109.64 -67.2 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.99 18.29 5.59 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.556 ' CG2' ' O ' ' A' ' 5' ' ' ALA . 3.5 t -76.25 75.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.02 112.85 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.548 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 6.7 mt -111.07 146.57 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.224 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.507 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -87.7 105.53 17.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.672 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 17.6 m-85 -96.62 132.57 42.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.342 179.995 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.536 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . . . -73.34 -176.62 0.48 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.415 1.072 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.686 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.5 Cg_endo -75.02 -104.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.686 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 170.16 174.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.374 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.436 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -104.97 170.62 7.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.436 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 34.4 p -152.06 156.04 39.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.566 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.3 t -107.75 136.54 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.543 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.06 -59.29 0.81 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.943 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.566 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.9 -161.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.78 . . . . 0.0 111.045 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.0 t -152.22 20.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.946 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.577 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 51.9 p -171.78 60.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.623 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -40.6 -26.98 0.15 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.63 1.206 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 11' ' ' SER . 1.2 mt 50.61 -82.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.623 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -40.65 117.22 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.527 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 65.7 t0 -53.17 108.74 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.435 1.084 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.478 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 90.36 34.58 7.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 12' ' ' GLY . 1.8 m -64.28 85.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.794 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.3 t -70.8 88.6 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.557 1.161 . . . . 0.0 109.242 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -113.0 170.24 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.383 179.851 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -61.84 141.03 58.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.509 HG23 ' CG1' ' A' ' 7' ' ' VAL . 66.8 t -142.09 140.8 29.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.436 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -139.1 160.62 39.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.201 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.694 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 92.68 -171.24 33.03 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.694 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 147.0 -144.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 0.777 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.428 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -71.05 0.96 27.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 1.3 tp 43.78 64.15 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.399 0.706 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.527 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 11.7 tp60 -79.78 -99.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 161.26 74.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.75 69.25 1.43 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 m -155.43 160.35 40.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 0.743 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.2 151.76 22.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.512 ' O ' ' CD2' ' A' ' 97' ' ' LEU . 1.1 m-85 -151.46 80.02 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.9 OUTLIER -58.97 129.89 44.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.566 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 27.5 t -64.95 160.52 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -150.54 153.01 24.78 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.562 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -148.67 121.18 8.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.33 179.948 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 25.2 m -125.52 178.41 5.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -146.42 110.74 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.587 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -85.73 123.29 30.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 108.027 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.466 HG22 ' CB ' ' A' ' 91' ' ' ALA . 79.1 t -110.3 -27.97 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.552 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -164.62 -165.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.6 m -60.88 -53.21 60.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 110.416 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.15 27.97 8.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.428 1.08 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.3 t -121.18 43.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.249 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.587 ' HB2' ' CD1' ' A' ' 39' ' ' TRP . 1.5 tt -94.58 97.61 10.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.79 110.45 20.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.404 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.1 m -85.99 162.03 18.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.562 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 15.3 t-20 -115.27 88.93 19.49 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 38.84 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -138.34 7.95 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.467 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -38.86 -42.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.49 -60.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.566 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.8 m -34.24 151.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.431 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 63.4 p -164.56 143.39 7.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.539 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 2.4 p -148.91 -156.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 1.2 m -142.14 168.79 18.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.481 ' N ' ' CG2' ' A' ' 56' ' ' THR . . . -78.3 -177.77 5.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.704 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.3 p30 -139.04 134.44 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.704 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.23 81.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.357 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.632 ' N ' ' O ' ' A' ' 58' ' ' ASP . 6.2 t30 147.59 -35.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' A' ' 26' ' ' LEU . . . 117.44 -4.53 17.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -78.52 131.28 36.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.962 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -77.56 164.94 24.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.7 p -162.17 113.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.007 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.539 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.4 OUTLIER 175.47 175.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 19.2 m -89.7 125.53 35.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.506 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 7.7 mp -113.83 136.29 53.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.539 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 7.4 t -82.57 100.54 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.297 -179.88 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.655 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 2.6 t -70.11 64.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.229 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.539 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -46.51 130.89 11.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 110.234 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.619 ' CG ' ' CG2' ' A' ' 89' ' ' THR . 2.3 ttm180 -90.7 -72.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.1 t -97.9 126.47 43.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.025 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.462 ' CD1' ' ND2' ' A' ' 48' ' ' ASN . 37.5 p90 -163.68 -174.7 3.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 74' ' ' GLU . 4.0 pt-20 -96.61 118.04 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -113.57 153.86 17.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -145.47 142.02 28.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.78 . . . . 0.0 110.995 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.615 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 11.2 mp -57.23 -61.95 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.615 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.4 t80 154.59 -27.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 9.0 t0 174.94 60.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.65 -61.64 0.05 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.479 ' HB ' ' CD2' ' A' ' 77' ' ' LEU . 18.8 m -135.62 171.45 14.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 0.728 . . . . 0.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 8.3 ptt180 -159.22 149.05 18.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.248 179.926 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.409 ' NE1' HG21 ' A' ' 40' ' ' VAL . 94.2 m95 -93.85 -74.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 107.999 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.592 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 84.1 142.23 5.22 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.592 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER 20.57 80.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 110.353 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.02 153.65 10.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.402 ' O ' ' HB ' ' A' ' 90' ' ' THR . 2.5 p30 -78.43 112.75 15.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . 0.6 OUTLIER -64.37 -25.74 68.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 108.341 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.619 ' CG2' ' CG ' ' A' ' 71' ' ' ARG . 4.7 p -50.57 -21.58 1.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.387 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -75.52 -23.27 56.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.376 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -130.89 18.26 5.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.476 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 33.82 80.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.613 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 1.7 p -54.49 -174.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 108.361 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.457 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 18.7 pm0 -144.59 144.16 31.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.504 ' CG1' HG21 ' A' ' 7' ' ' VAL . 8.2 p -120.62 126.06 74.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.12 -168.86 11.39 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.512 ' CD2' ' O ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -126.13 149.15 49.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.333 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.6 OUTLIER -141.53 154.61 45.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -102.49 177.56 4.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.21 22.18 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.32 -44.91 0.25 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -79.08 -52.87 4.71 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.451 ' O ' ' O ' ' A' ' 102' ' ' GLY . 17.6 t30 37.89 -158.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.743 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.408 ' H ' ' CG ' ' A' ' 103' ' ' ASN . . . 93.03 156.72 33.0 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.437 1.086 . . . . 0.0 111.017 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -75.04 143.78 29.33 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.7 mt-10 161.17 72.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.421 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -104.55 175.34 22.53 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 95' ' ' VAL . 7.2 p -98.39 120.31 47.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.519 0.776 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.4 114.43 3.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.497 HD11 ' CG2' ' A' ' 7' ' ' VAL . 25.3 mt -117.55 154.8 19.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.246 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.91 102.48 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.015 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.655 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 40.2 m-85 -93.06 162.7 13.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.536 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 19.0 t30 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.153 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 1' ' ' ALA . . . 80.76 163.45 0.12 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.535 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.2 Cg_endo -74.97 105.2 2.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.535 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -176.46 144.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.44 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 97' ' ' LEU . . . -104.14 150.82 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 5.6 p -148.4 158.88 44.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.51 HG21 ' CG2' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -105.56 127.15 60.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.419 1.075 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.615 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -34.08 -62.5 0.37 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.615 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -75.05 -162.77 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 3.1 t 159.42 36.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.507 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 6.6 t -166.95 138.79 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.94 25.85 46.57 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.575 1.172 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.526 ' HB3' ' HB ' ' A' ' 17' ' ' THR . 6.1 mt -79.33 -95.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.76 . . . . 0.0 109.306 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.52 ' CB ' ' HB2' ' A' ' 71' ' ' ARG . 17.3 t 48.86 -171.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.941 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.501 ' N ' ' OG ' ' A' ' 14' ' ' SER . 20.9 t0 52.07 33.21 11.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.534 ' HA2' ' HA ' ' A' ' 70' ' ' ARG . . . 57.31 44.93 93.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 111.042 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.548 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.7 OUTLIER -54.5 88.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 110.42 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.519 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.4 t -72.18 76.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 66' ' ' SER . 2.6 m -87.83 -170.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.374 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -92.73 138.76 31.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.496 HG12 ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -126.66 142.78 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -141.52 153.82 45.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.714 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 100.61 -173.82 25.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.714 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 143.36 -159.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.46 -5.13 4.53 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.5 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 45.9 66.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.498 ' CB ' ' OH ' ' A' ' 32' ' ' TYR . 4.6 tp60 -88.57 -100.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 166.78 78.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.19 66.01 1.99 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -142.89 169.4 17.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.4 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.37 148.35 27.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.585 ' CD1' HD13 ' A' ' 97' ' ' LEU . 4.9 m-85 -145.13 76.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.49 141.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.547 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 2.3 t -79.04 150.53 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.534 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -123.9 -169.5 13.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 2.1 tp60 158.0 108.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 110.305 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.538 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 36.0 m -121.38 -179.45 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 108.284 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.515 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -143.84 97.69 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.515 ' CD2' HD12 ' A' ' 45' ' ' LEU . 2.2 t90 -61.28 125.12 22.62 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 41' ' ' ASP . 57.6 t -110.7 -104.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.433 ' N ' HG13 ' A' ' 40' ' ' VAL . 1.5 t0 -60.17 -160.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 m -80.61 -37.58 30.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.32 27.44 6.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 77' ' ' LEU . 39.7 t -125.86 127.76 71.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.786 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.515 HD12 ' CD2' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -136.35 99.53 4.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -69.81 89.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.538 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -74.14 158.68 33.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 108.263 -179.944 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 36.4 t30 -117.14 77.7 9.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.06 35.03 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -134.11 6.62 3.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -47.88 -47.54 31.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 10.3 m-85 71.93 -40.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.547 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.1 m -42.21 165.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 110.028 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.2 p -160.59 147.93 15.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.953 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.569 ' CG2' HG23 ' A' ' 65' ' ' THR . 1.4 p -135.31 164.9 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.479 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.7 m -127.66 152.8 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -67.09 -179.03 0.87 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.718 ' O ' ' N ' ' A' ' 60' ' ' ASN . 56.1 p30 -141.5 134.77 29.44 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.679 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -12.37 79.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.718 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.7 t30 151.3 -36.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.5 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 120.58 -13.05 10.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.6 OUTLIER -73.25 135.67 44.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.989 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -82.35 157.36 23.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 65' ' ' THR . 97.3 p -160.55 119.11 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.152 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.569 HG23 ' CG2' ' A' ' 55' ' ' VAL . 11.3 t -178.66 -138.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.56 ' N ' HG21 ' A' ' 65' ' ' THR . 41.5 m -138.7 139.9 38.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.519 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -118.78 137.01 53.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.546 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -87.11 92.5 9.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.601 HG11 ' CZ ' ' A' ' 112' ' ' PHE . 3.9 t -68.14 66.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.546 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -61.79 131.78 50.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.52 ' HB2' ' CB ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -94.58 -76.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.79 103.96 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.001 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.653 ' CE1' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -152.23 -179.72 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 1.2 pm0 -110.31 98.21 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.62 158.32 33.68 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.437 1.085 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 4.2 m-85 -119.91 137.26 54.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.622 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -36.33 -59.47 0.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.622 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.7 t80 152.65 -28.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 6.3 t0 175.2 63.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.01 -61.89 0.06 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.57 1.169 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 98.1 m -136.84 173.9 11.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 0.76 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.559 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 5.7 ppt_? -131.12 130.66 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -61.74 -90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 110.44 151.56 12.94 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.637 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER 16.07 77.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.575 0.809 . . . . 0.0 110.386 179.913 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.3 p -128.17 141.73 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.48 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.4 OUTLIER -83.36 103.68 12.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.653 ' SG ' ' CE1' ' A' ' 73' ' ' PHE . 2.1 m -47.76 -40.72 21.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.477 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 6.6 t -51.71 -21.45 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 37.1 m -84.22 -19.0 34.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.531 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -134.53 25.84 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 28.72 86.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.63 ' CB ' ' CZ ' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -52.12 -177.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 108.252 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 19.4 pm0 -156.08 139.1 15.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.421 ' CG1' HD12 ' A' ' 67' ' ' LEU . 1.9 t -105.92 127.81 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.55 171.61 23.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.585 HD13 ' CD1' ' A' ' 32' ' ' TYR . 1.1 tm? -90.51 154.47 19.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.433 ' N ' HD11 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -134.21 99.94 4.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -108.61 -178.31 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.234 -179.949 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.57 18.03 4.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.359 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.13 51.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -176.29 -35.0 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.8 p30 -42.49 166.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.02 -156.63 18.24 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.6 4.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.582 1.832 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 170.48 40.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.429 ' HA3' ' CG ' ' A' ' 94' ' ' GLN . . . -81.78 164.92 45.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 6' ' ' THR . 42.4 t -92.03 108.12 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.92 100.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.475 HG22 ' CD1' ' A' ' 13' ' ' LEU . 4.2 mt -106.93 150.9 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.507 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -89.51 108.38 19.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.035 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.63 ' CZ ' ' CB ' ' A' ' 93' ' ' CYS . 8.9 m-85 -95.67 127.91 42.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.99 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.547 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . 163.65 -58.97 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.547 ' HD3' ' CB ' ' A' ' 2' ' ' ALA . 18.2 Cg_endo -75.07 62.31 5.89 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.42 1.748 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.519 ' CG2' ' C ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER 174.25 161.31 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.342 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.472 ' CB ' HD11 ' A' ' 97' ' ' LEU . . . -98.5 175.36 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.463 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 22.5 p -152.26 153.71 34.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 110.419 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.539 ' CG1' HG23 ' A' ' 19' ' ' VAL . 43.8 t -110.44 122.56 65.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.748 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -33.16 -69.47 0.14 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.748 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.02 169.06 23.44 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.774 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.429 ' HA ' HG12 ' A' ' 110' ' ' ILE . 1.5 p -155.18 19.7 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 27.2 p 174.38 150.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 73.89 35.39 54.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.499 ' CD1' HG21 ' A' ' 110' ' ' ILE . 5.5 mt -99.16 -151.06 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -160.03 164.37 33.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.502 ' HA ' ' CG ' ' A' ' 71' ' ' ARG . 22.0 t0 -63.16 92.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.45 ' H ' ' HA ' ' A' ' 70' ' ' ARG . . . 109.76 32.03 3.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.472 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 1.1 m -77.36 78.3 3.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.786 . . . . 0.0 110.374 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 10.8 t -64.81 81.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.539 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.9 OUTLIER -94.69 166.3 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -66.48 142.89 57.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.562 ' CG1' HD21 ' A' ' 67' ' ' LEU . 75.7 t -140.37 144.09 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.461 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -146.94 154.04 40.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.613 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 104.82 176.17 24.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.613 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 154.37 -160.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 0.725 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -63.09 -2.59 5.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.565 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.1 tp 47.41 68.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.47 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 1.1 tm0? -98.33 -86.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 164.53 84.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.426 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 71.72 6.9 64.1 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.44 ' N ' ' HB3' ' A' ' 57' ' ' ALA . 98.3 m -65.42 167.85 8.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.407 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.523 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -91.36 145.03 24.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.599 ' CE2' ' HB1' ' A' ' 24' ' ' ALA . 14.8 m-85 -142.75 77.96 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -52.1 125.27 15.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.799 ' HB ' ' HD2' ' A' ' 51' ' ' ASP . 63.5 t -68.3 152.66 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.573 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -133.51 -174.6 13.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.62 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -178.48 113.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.523 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 4.0 m -122.47 168.86 11.6 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.484 1.115 . . . . 0.0 108.295 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 93' ' ' CYS . . . -139.84 110.31 6.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.488 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -74.98 116.03 15.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 107.974 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 t -102.42 -26.99 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.476 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 2.1 t70 -172.45 54.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' A' ' 43' ' ' GLY . 1.1 m 63.12 -85.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' N ' ' CG2' ' A' ' 42' ' ' THR . . . -72.52 -2.61 55.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.386 1.054 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 3.7 t -111.67 46.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -94.85 108.85 20.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -77.56 103.19 7.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.523 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -81.44 145.0 30.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 108.307 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.729 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 40.5 t30 -117.5 78.48 11.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.426 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -75.03 7.3 2.94 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' C ' ' N ' ' A' ' 52' ' ' PHE . . . -96.34 -2.14 46.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.799 ' HD2' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -38.39 -31.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.948 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.616 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 7.7 m-85 65.24 -52.11 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -36.5 149.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.041 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 p -153.76 139.31 17.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.497 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 7.7 p -122.85 153.54 27.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.6 m -108.56 150.22 27.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 110.484 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.487 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -73.1 174.71 7.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.0 p30 -135.17 121.6 20.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.525 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.19 -88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.241 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.658 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.7 m-20 -38.34 -46.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.565 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 129.37 -1.71 6.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 49.4 m -77.54 141.71 39.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.787 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.471 ' HB3' ' CB ' ' A' ' 24' ' ' ALA . . . -79.76 159.6 26.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 65' ' ' THR . 79.1 p -159.05 110.43 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.497 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.96 174.55 0.68 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 5.6 m -92.27 131.35 37.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.963 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.562 HD21 ' CG1' ' A' ' 21' ' ' VAL . 5.8 mp -113.56 134.49 54.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.516 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 1.1 t -75.82 97.82 4.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.479 ' CG1' HD12 ' A' ' 13' ' ' LEU . 23.2 t -70.53 60.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.516 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -65.13 143.79 57.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.669 ' HB3' ' CG ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -111.69 -72.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.427 ' HA ' ' HA ' ' A' ' 87' ' ' ASP . 96.1 p -66.11 82.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 110.031 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.729 ' CE1' ' HB2' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -137.17 150.53 47.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.418 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 16.1 pt-20 -77.75 116.57 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -113.73 158.36 14.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.571 1.169 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 4.9 m-85 -116.17 136.46 52.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.621 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 11.2 mp -39.15 -61.99 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.621 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.0 t80 153.56 -19.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.24 -36.68 10.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.41 -28.32 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.9 m -58.18 129.73 43.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 0.799 . . . . 0.0 110.435 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -115.67 140.0 49.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.529 ' CE2' HD12 ' A' ' 77' ' ' LEU . 67.9 m95 -89.93 -75.83 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 107.955 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 112.93 139.17 7.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.517 ' O ' ' CG2' ' A' ' 85' ' ' THR . 5.2 t 31.26 52.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.9 t -75.65 109.36 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.553 ' O ' ' N ' ' A' ' 90' ' ' THR . 31.1 m-20 -69.39 95.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 1.296 ' SG ' ' SG ' ' A' ' 93' ' ' CYS . 62.0 m -43.21 -48.59 6.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 108.276 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 112' ' ' PHE . 2.4 t -49.32 -28.78 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.473 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.553 ' N ' ' O ' ' A' ' 87' ' ' ASP . 61.9 m -69.37 -28.24 66.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.596 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -138.74 36.86 2.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.596 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 23.33 65.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 1.296 ' SG ' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -53.65 -175.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 108.305 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.52 HE21 ' N ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -138.1 161.32 37.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.52 ' N ' HE21 ' A' ' 94' ' ' GLN . 4.7 p -132.95 110.86 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.278 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -124.48 173.24 16.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 5' ' ' ALA . 12.6 mt -96.1 153.57 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -132.43 121.21 23.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -101.4 178.77 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.15 32.01 0.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -155.96 -44.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -87.1 -47.88 4.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 111.058 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.557 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.1 p30 37.63 -164.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.519 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 69.99 -176.77 32.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.148 . . . . 0.0 110.961 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -166.26 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.8 -62.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 129.45 39.58 0.29 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.517 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 4.3 t -100.09 72.64 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 109.346 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.79 109.95 3.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.499 HG21 ' CD1' ' A' ' 13' ' ' LEU . 28.9 mt -110.42 143.87 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.473 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 1.1 m -93.57 108.7 20.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.669 ' CG ' ' HB3' ' A' ' 71' ' ' ARG . 15.5 m-85 -90.25 124.02 34.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.977 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.437 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.462 ' N ' ' CD ' ' A' ' 3' ' ' PRO . . . 168.05 -54.55 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.54 ' C ' ' CG2' ' A' ' 4' ' ' THR . 17.9 Cg_endo -75.08 132.54 15.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.476 1.777 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.54 ' CG2' ' C ' ' A' ' 3' ' ' PRO . 0.2 OUTLIER 166.96 171.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.457 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -104.39 163.93 12.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.502 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 18.2 p -149.45 155.12 39.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.492 ' HB ' ' CD1' ' A' ' 110' ' ' ILE . 2.3 t -96.71 135.9 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.54 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.6 -58.7 0.99 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.54 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.01 177.78 8.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.558 1.82 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.462 ' HA ' HG12 ' A' ' 110' ' ' ILE . 24.0 p -156.03 16.88 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 10' ' ' SER . 12.3 p 167.67 160.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.14 38.01 91.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.559 ' CD1' HG21 ' A' ' 110' ' ' ILE . 5.1 mt -91.65 -147.64 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.461 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -158.96 163.7 36.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.96 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.53 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 35.2 t0 -58.29 95.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.447 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 93.21 38.72 5.3 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.461 ' OG1' ' N ' ' A' ' 14' ' ' SER . 1.0 OUTLIER -67.85 84.26 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 0.737 . . . . 0.0 110.441 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 5.7 t -73.8 93.38 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.236 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.482 HG22 ' CG1' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -115.9 178.27 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -75.95 142.5 41.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.516 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 53.7 t -141.68 142.86 28.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.93 163.01 34.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.611 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 101.05 175.82 29.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.611 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 154.28 -155.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.1 -0.68 7.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.523 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.4 tp 47.31 62.92 2.18 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.483 ' CB ' ' OH ' ' A' ' 32' ' ' TYR . 7.5 tt0 -94.98 -99.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.6 90.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.35 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.423 ' N ' ' HB1' ' A' ' 57' ' ' ALA . . . 55.8 15.68 10.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 1.7 m -70.95 169.57 14.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -87.61 142.9 27.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.585 ' CD1' HD23 ' A' ' 97' ' ' LEU . 11.5 m-30 -142.76 77.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -52.63 130.37 32.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.504 ' CG2' ' HB3' ' A' ' 53' ' ' SER . 41.5 t -60.28 154.35 4.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.532 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -113.13 -81.09 1.04 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.137 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.549 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 5.4 tp60 72.88 99.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.494 0.761 . . . . 0.0 110.342 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.507 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 35.7 m -121.72 -177.28 3.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 108.297 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.512 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -162.86 135.97 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.494 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -58.61 170.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.516 HG21 ' CD1' ' A' ' 83' ' ' TRP . 69.5 t -139.4 -103.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.438 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -86.14 -171.91 3.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.0 m -72.84 89.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.452 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.81 -4.05 42.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.558 ' CG1' ' CD1' ' A' ' 77' ' ' LEU . 12.4 t -107.64 129.78 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.454 HD11 ' CD2' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -124.86 148.46 48.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.452 ' N ' HG23 ' A' ' 40' ' ' VAL . . . -125.47 126.9 45.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.507 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.6 m -90.6 170.01 10.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 108.342 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 14.1 t30 -116.9 78.07 9.12 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.386 1.054 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.08 35.23 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -128.76 -0.22 5.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 1.2 p30 -54.34 -59.51 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.544 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER 78.51 -24.08 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.593 1.183 . . . . 0.0 110.991 179.964 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.504 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 1.9 m -53.54 158.18 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 110.073 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 t -155.31 143.1 19.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.499 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 8.6 p -129.63 149.08 33.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.4 m -105.41 148.69 26.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.355 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.518 ' HA ' ' HA ' ' A' ' 63' ' ' ALA . . . -75.4 174.33 9.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.6 p30 -135.12 121.37 20.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.533 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.98 -89.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.075 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.642 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.7 m-20 -36.56 -46.49 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.523 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.89 0.46 6.04 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -78.36 137.14 37.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.049 179.925 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.518 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . . . -76.22 158.37 31.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.5 p -157.96 112.61 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.499 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.22 174.95 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 75.1 m -92.04 127.52 37.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.516 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 2.3 mp -111.35 136.84 49.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.558 ' O ' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -84.69 89.44 7.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.618 1.199 . . . . 0.0 110.356 -179.921 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.71 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 4.7 t -64.15 67.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -56.09 137.71 50.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.427 1.079 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.536 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.2 OUTLIER -97.19 -73.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.212 -179.908 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 4.9 t -87.25 131.54 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.966 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 85' ' ' THR . 17.3 p90 -179.66 -165.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.634 ' HA ' ' H ' ' A' ' 85' ' ' THR . 1.2 pm0 -115.83 133.96 55.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.18 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.02 -175.14 15.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 1.3 m-85 -138.33 140.22 39.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 0.731 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.593 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 4.3 mm? -48.54 -60.95 2.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.593 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.4 t80 154.82 -20.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -97.28 -48.59 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.57 45.8 0.02 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.5 m -123.86 127.31 47.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -64.37 152.66 40.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.61 1.194 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.516 ' CD1' HG21 ' A' ' 40' ' ' VAL . 42.5 t-105 -167.67 -175.56 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 88.91 -103.99 3.04 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.634 ' H ' ' HA ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER 35.47 34.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.51 0.771 . . . . 0.0 110.456 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 72' ' ' SER . 0.3 OUTLIER -160.94 -177.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.493 ' CB ' ' HD3' ' A' ' 71' ' ' ARG . 90.3 m-20 -78.05 97.51 5.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.536 ' SG ' ' O ' ' A' ' 71' ' ' ARG . 3.4 p -43.99 -28.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 108.294 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.529 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 1.5 t -49.92 -24.55 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.23 -24.4 63.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.53 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -115.74 38.29 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.53 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 30.41 58.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.696 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -44.0 165.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 108.264 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 12.5 pm0 -141.08 153.8 45.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.423 HG22 ' NE2' ' A' ' 36' ' ' GLN . 53.7 t -126.5 126.03 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -152.68 173.22 31.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.585 HD23 ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -87.58 143.55 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.564 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -130.92 130.56 43.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.992 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -98.04 170.92 8.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.82 10.62 11.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.68 -41.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.548 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -83.86 -57.38 2.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.548 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.8 p30 35.21 -159.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 0.748 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 81.26 -153.95 34.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 118.75 5.39 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 106' ' ' GLU . 5.4 mp0 -78.5 -99.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 94' ' ' GLN . . . 160.43 -157.11 28.48 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.569 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 2.5 t 68.72 75.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.55 110.88 9.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.559 HG21 ' CD1' ' A' ' 13' ' ' LEU . 35.3 mt -114.03 147.12 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.9 OUTLIER -87.09 118.34 26.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.929 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.71 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 2.3 m-85 -97.42 17.77 16.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 39.4 t30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 179.983 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.657 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -157.29 51.46 0.5 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.657 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -74.97 81.37 2.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -163.9 143.03 7.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 110.406 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -105.39 148.49 27.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.465 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 5.5 p -136.07 156.56 48.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.486 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 2.7 p -114.64 146.34 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.465 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -42.45 -54.9 7.45 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.138 . . . . 0.0 110.376 179.941 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.52 ' CD ' HG21 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.94 -159.59 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.064 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 p -173.94 -24.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.4 p -164.9 169.8 16.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 61.97 30.26 74.91 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.523 ' CD1' HG22 ' A' ' 110' ' ' ILE . 6.2 mt -88.97 -146.16 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 0.785 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.13 158.01 39.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 7.6 p-10 -57.04 100.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.468 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 92.0 36.76 6.23 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -69.66 84.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.36 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.6 t -70.08 99.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.52 HG21 ' CD ' ' A' ' 9' ' ' PRO . 31.4 m -124.67 179.23 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -72.53 150.35 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.523 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 3.8 p -140.03 151.32 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -152.12 144.27 23.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.611 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 102.45 178.36 27.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.611 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 154.59 -157.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.37 0.39 3.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.603 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 4.0 tp 48.61 62.92 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.515 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 39.8 tp60 -83.29 -98.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.178 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' N ' ' HG3' ' A' ' 27' ' ' GLN . . . 170.04 92.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.457 ' N ' ' HB2' ' A' ' 57' ' ' ALA . . . 46.51 35.04 6.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.495 ' HB ' ' CG ' ' A' ' 27' ' ' GLN . 1.1 m -106.99 166.33 10.69 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.543 0.79 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.465 ' N ' ' CG2' ' A' ' 30' ' ' THR . . . -70.65 146.45 49.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.617 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 2.3 m-85 -142.11 78.91 1.65 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.42 121.53 8.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.495 ' CG2' HD11 ' A' ' 67' ' ' LEU . 59.3 t -59.74 159.36 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.409 ' HA2' ' CG ' ' A' ' 51' ' ' ASP . . . -151.58 138.47 6.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.557 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -128.65 117.7 21.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 0.783 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.535 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 4.9 m -128.39 172.47 11.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.269 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.511 ' CB ' ' HB2' ' A' ' 93' ' ' CYS . . . -145.78 141.87 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.99 134.08 35.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 108.017 -179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.471 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 59.0 t -99.51 -113.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' O ' ' HB ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -150.3 137.94 19.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.551 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 0.9 OUTLIER 68.66 84.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.4 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' THR . . . 32.57 37.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.551 ' CG2' ' O ' ' A' ' 42' ' ' THR . 55.2 t -115.41 121.0 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.46 120.3 12.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.25 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -103.9 129.62 51.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 1.1 m -97.74 161.36 13.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.612 ' OD1' ' CE1' ' A' ' 73' ' ' PHE . 3.6 t-20 -114.51 89.62 18.8 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 38.97 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.553 1.818 . . . . 0.0 110.997 -179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.608 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -129.98 2.32 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.566 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -50.25 -53.45 28.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 16.3 m-85 68.37 -51.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.479 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 2.7 m -32.71 148.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 0.0 109.945 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.416 ' N ' HG22 ' A' ' 34' ' ' VAL . 13.7 p -150.98 142.53 23.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.956 179.909 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.565 ' CG2' ' N ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -135.92 167.42 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.565 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.8 m -111.98 156.04 22.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 61' ' ' GLY . . . -86.79 171.12 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.645 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.4 p30 -129.66 121.55 27.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.561 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 27.59 -89.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.645 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.4 m-20 -34.84 -47.52 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.603 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.39 2.94 6.83 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.5 m -86.06 142.88 28.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.956 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.524 ' CB ' ' CD2' ' A' ' 97' ' ' LEU . . . -76.07 158.66 31.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 65' ' ' THR . 53.4 p -161.13 110.01 1.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.516 ' OG1' ' N ' ' A' ' 66' ' ' SER . 5.2 t 179.16 -131.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.405 -179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.516 ' N ' ' OG1' ' A' ' 65' ' ' THR . 53.8 p -140.66 126.89 19.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.523 ' HG ' ' CG1' ' A' ' 21' ' ' VAL . 0.8 OUTLIER -112.01 152.61 27.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 70' ' ' ARG . 1.8 t -91.48 95.73 10.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.546 HG12 ' CE2' ' A' ' 112' ' ' PHE . 21.2 t -66.27 65.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.594 ' HD2' ' CE2' ' A' ' 73' ' ' PHE . 5.5 mtm180 -61.17 131.54 50.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.542 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 61.5 ttp180 -89.91 -76.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.475 ' HA ' ' C ' ' A' ' 86' ' ' VAL . 88.5 p -65.5 124.62 22.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.612 ' CE1' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -150.53 161.66 42.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.506 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -99.55 64.45 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -39.3 159.7 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.438 1.086 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.441 ' CD1' ' HA ' ' A' ' 82' ' ' ARG . 51.4 t80 -140.59 139.18 34.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.697 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 4.0 mm? -38.14 -62.94 0.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.697 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER 157.46 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.931 179.94 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 4.7 t0 172.11 49.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -155.65 -50.25 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.522 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -164.51 169.81 16.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.62 0.835 . . . . 0.0 110.398 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.522 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.1 OUTLIER -83.54 151.27 25.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.466 ' CD1' ' HB ' ' A' ' 85' ' ' THR . 13.3 t-105 -110.48 -37.57 5.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 107.997 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.506 ' HA2' ' HA ' ' A' ' 74' ' ' GLU . . . 52.45 85.12 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 86' ' ' VAL . 5.9 t -95.06 12.93 26.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 0.761 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.575 ' C ' ' O ' ' A' ' 85' ' ' THR . 6.2 p 26.58 -139.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.23 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.537 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.2 OUTLIER -37.69 93.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.939 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 93' ' ' CYS . 4.2 m -43.13 -33.12 0.82 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 108.336 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.469 HG22 ' CB ' ' A' ' 87' ' ' ASP . 9.7 t -49.83 -24.21 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.421 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.2 m -74.1 -25.92 60.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -129.24 19.04 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 34.22 51.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 1.257 ' SG ' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -52.19 -175.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 108.294 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.437 ' N ' ' CD ' ' A' ' 94' ' ' GLN . 2.9 pm0 -137.68 159.37 42.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.511 ' CG1' ' CD1' ' A' ' 110' ' ' ILE . 10.0 p -133.41 98.55 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.409 ' HA3' ' HA2' ' A' ' 107' ' ' GLY . . . -118.41 -167.02 13.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.524 ' CD2' ' CB ' ' A' ' 63' ' ' ALA . 2.5 mp -103.94 161.67 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.1 t -157.0 120.48 4.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.617 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -100.39 178.12 4.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.263 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.497 ' O ' ' CB ' ' A' ' 101' ' ' ALA . . . -99.73 48.8 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 100' ' ' ALA . . . 163.62 -22.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.431 ' HA3' ' CG ' ' A' ' 99' ' ' ASP . . . -76.5 -64.1 2.23 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -170.16 -162.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.93 -88.01 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.4 Cg_endo -74.93 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.546 1.814 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.555 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 1.5 tp10 90.72 34.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.409 ' HA2' ' HA3' ' A' ' 96' ' ' GLY . . . -75.6 -175.46 37.79 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.426 ' N ' ' HB2' ' A' ' 94' ' ' GLN . 6.3 p -102.03 126.23 56.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 0.809 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.62 109.58 4.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.523 HG22 ' CD1' ' A' ' 13' ' ' LEU . 4.8 mt -107.64 139.45 29.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -99.68 97.52 8.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.029 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.546 ' CE2' HG12 ' A' ' 69' ' ' VAL . 6.1 m-85 -75.14 127.22 32.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 7.7 t-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.795 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.795 ' CB ' ' O ' ' A' ' 1' ' ' ALA . . . 116.88 -46.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 2' ' ' ALA . 18.4 Cg_endo -75.06 35.78 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.568 1.825 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.53 ' OG1' ' C ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -176.66 172.16 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 110.432 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.435 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -113.48 164.29 13.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.435 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 9.1 p -149.53 156.1 41.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.5 p -119.14 146.1 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.357 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.452 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.94 -54.67 1.37 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.07 . . . . 0.0 110.361 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.55 ' HB2' ' CD2' ' A' ' 13' ' ' LEU . 18.4 Cg_endo -74.96 -157.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 t 175.65 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.501 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 92.1 p -155.33 151.73 28.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 76.33 22.7 72.68 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.55 ' CD2' ' HB2' ' A' ' 9' ' ' PRO . 2.1 mp -75.5 -152.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 0.809 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.42 159.24 35.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.553 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 17.5 t0 -55.65 96.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.469 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 96.86 37.28 4.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.522 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -69.94 83.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 110.333 -179.889 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 5.7 t -71.13 114.95 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.488 HG23 ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -143.72 -178.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.948 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.88 146.31 33.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 65' ' ' THR . 0.9 OUTLIER -139.44 146.13 26.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.387 1.055 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -148.02 155.36 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.251 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.617 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 87.9 -176.54 45.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.617 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 154.14 -137.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 0.737 . . . . 0.0 109.258 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.99 3.39 51.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.55 ' N ' ' HH ' ' A' ' 32' ' ' TYR . 5.9 tp 46.72 67.5 0.77 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.561 0.801 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 3.1 tp-100 -83.54 -97.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 163.81 90.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.473 ' N ' ' HB2' ' A' ' 57' ' ' ALA . . . 45.31 49.02 10.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.452 ' HB ' ' CG ' ' A' ' 27' ' ' GLN . 0.8 OUTLIER -127.9 152.67 47.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.467 0.745 . . . . 0.0 110.336 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.88 151.76 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.55 ' HH ' ' N ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -147.38 78.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 111.01 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' SER . 9.5 t0 -55.43 112.72 1.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.6 ' CG2' HD23 ' A' ' 67' ' ' LEU . 33.6 t -56.33 156.93 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.474 ' N ' HG12 ' A' ' 34' ' ' VAL . . . -152.82 131.75 3.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.474 ' NE2' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -119.29 112.92 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.524 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 12.2 m -130.57 174.31 10.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 108.353 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.532 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -133.89 88.82 2.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.548 ' CG ' ' O ' ' A' ' 39' ' ' TRP . 4.2 p-90 -78.2 102.03 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.014 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 55.0 t -93.57 -101.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.48 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 5.0 t0 -85.4 45.48 1.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 64.76 -76.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -63.55 -11.14 40.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.475 HG11 ' CD2' ' A' ' 77' ' ' LEU . 3.4 t -107.32 58.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -99.19 97.72 8.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.548 ' HB3' ' CD1' ' A' ' 83' ' ' TRP . . . -79.13 95.8 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.596 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -83.85 140.38 32.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 108.258 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.64 ' ND2' ' CE1' ' A' ' 73' ' ' PHE . 7.8 t30 -110.88 93.34 16.93 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.1 Cg_endo -75.02 37.12 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -126.37 -1.96 6.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 34' ' ' VAL . 0.6 OUTLIER -43.34 -53.83 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.368 179.944 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.48 -52.14 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 52' ' ' PHE . 11.9 m -30.48 147.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 p -147.62 138.67 23.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 4.3 p -134.49 179.44 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -130.36 150.86 51.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.38 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.473 ' HB2' ' N ' ' A' ' 29' ' ' GLY . . . -80.83 164.2 22.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.376 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 60' ' ' ASN . 5.2 p30 -125.79 118.89 26.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.81 -89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.642 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.6 m-20 -38.31 -43.71 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.504 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 122.46 6.39 8.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.8 m -83.63 144.4 29.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.481 ' CB ' HD21 ' A' ' 97' ' ' LEU . . . -77.15 169.92 17.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.435 ' O ' ' HB ' ' A' ' 65' ' ' THR . 33.9 p -171.02 102.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.473 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.5 OUTLIER 177.69 171.08 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.8 p -86.71 124.61 33.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.035 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.6 HD23 ' CG2' ' A' ' 34' ' ' VAL . 9.4 mt -112.17 162.84 15.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.514 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 1.7 t -100.24 94.95 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.437 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.563 ' CG1' HG22 ' A' ' 110' ' ' ILE . 22.1 t -67.65 69.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.609 ' HD2' ' CE2' ' A' ' 73' ' ' PHE . 1.5 mtm180 -68.19 139.3 56.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.553 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 31.7 ttp180 -102.33 -70.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.77 98.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.64 ' CE1' ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -135.65 173.9 11.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.434 ' HB3' ' N ' ' A' ' 85' ' ' THR . 1.9 pt-20 -129.27 72.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 47' ' ' CYS . . . -71.03 151.72 49.29 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.621 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 13.9 p90 -99.52 134.59 42.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.601 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 31.1 mt -37.71 -61.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.601 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER 154.98 -27.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.934 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 2.9 t70 174.4 66.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.51 -53.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.522 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -158.5 169.81 23.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.522 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.0 OUTLIER -118.57 129.69 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 110.326 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.548 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 47.7 m95 -50.95 -97.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 108.056 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 151.13 173.76 21.39 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.434 ' N ' ' HB3' ' A' ' 74' ' ' GLU . 4.1 m -60.55 70.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.438 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.569 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.4 OUTLIER -109.21 164.98 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.461 ' O ' ' HB ' ' A' ' 90' ' ' THR . 1.3 p30 -70.91 106.75 3.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 71' ' ' ARG . 1.2 m -45.26 -39.42 6.47 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.46 1.1 . . . . 0.0 108.232 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 113' ' ' ASN . 0.5 OUTLIER -50.64 -29.87 12.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 8.9 m -74.77 -22.12 58.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -120.76 14.69 11.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 37.05 61.38 0.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 77.8 m -54.4 -174.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.253 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.482 ' NE2' ' CD1' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -150.06 146.46 26.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.474 HG22 ' NE2' ' A' ' 36' ' ' GLN . 3.8 t -123.23 112.47 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.471 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -136.54 -175.91 14.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.443 1.09 . . . . 0.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.488 ' CD1' HG23 ' A' ' 34' ' ' VAL . 1.1 mm? -100.53 144.69 29.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 0.733 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -128.41 162.74 26.43 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.03 175.64 10.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.62 -15.02 9.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.47 -10.52 23.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.52 27.4 73.51 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.446 1.091 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -78.73 -171.58 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 53.81 82.21 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.5 Cg_endo -74.98 116.89 4.72 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.561 1.822 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 0.3 OUTLIER 158.83 -172.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 179.928 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.471 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . 165.64 -95.31 0.12 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 9.9 p -156.84 124.02 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 0.799 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.2 99.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.63 HG22 ' CE2' ' A' ' 112' ' ' PHE . 6.1 mm -88.24 143.62 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.371 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -120.65 87.96 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.911 -179.921 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.63 ' CE2' HG22 ' A' ' 110' ' ' ILE . 10.0 m-85 -70.55 4.7 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' A' ' 111' ' ' SER . 6.4 t30 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.546 ' N ' ' CD ' ' A' ' 3' ' ' PRO . . . -81.35 -50.17 0.95 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -75.01 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.538 ' CB ' ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 163.82 172.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.412 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 97' ' ' LEU . . . -99.61 166.07 11.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.508 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 79.0 p -154.25 152.37 30.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.562 ' CG1' HG23 ' A' ' 19' ' ' VAL . 3.8 t -100.93 136.56 31.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.581 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -37.17 -60.4 0.83 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.581 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.04 -161.58 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.466 1.772 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.46 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 1.1 m 166.54 24.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.997 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.565 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 11.9 t 170.89 155.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.429 ' C ' HD22 ' A' ' 13' ' ' LEU . . . 58.49 38.28 90.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.446 1.091 . . . . 0.0 111.031 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.496 ' CD1' HG22 ' A' ' 110' ' ' ILE . 6.8 mt -97.31 -146.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.97 154.35 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.509 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 36.5 t0 -53.73 97.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.48 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 102.05 37.49 3.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.402 ' CB ' ' HB3' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -71.61 86.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 110.393 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 11.4 t -77.63 102.65 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.562 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -128.77 177.61 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -75.35 144.18 42.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.52 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 94.8 t -142.44 143.38 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.14 155.59 46.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.602 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 104.05 177.26 25.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.102 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.602 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 155.1 -154.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.33 -1.13 6.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 5.4 tp 49.38 65.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.5 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 7.1 tp60 -90.59 -91.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 163.49 100.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.405 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 44.2 34.58 3.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.464 ' CB ' ' HG2' ' A' ' 27' ' ' GLN . 57.6 m -107.73 161.51 14.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.424 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.25 148.19 52.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.436 ' O ' HD12 ' A' ' 97' ' ' LEU . 4.6 m-85 -150.1 78.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.59 138.84 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.556 ' CG2' ' HB3' ' A' ' 53' ' ' SER . 79.1 t -64.19 163.13 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.604 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -112.12 -92.85 2.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.445 1.091 . . . . 0.0 111.036 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.687 ' HG2' ' CE2' ' A' ' 73' ' ' PHE . 6.5 tp60 77.34 99.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 110.358 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.526 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 62.4 m -125.3 -176.14 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.504 ' CB ' ' HB2' ' A' ' 93' ' ' CYS . . . -153.92 100.44 2.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.424 ' NE1' ' O ' ' A' ' 41' ' ' ASP . 52.5 t90 -72.68 139.25 47.16 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 41' ' ' ASP . 91.9 t -122.91 -104.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.471 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 1.1 m-20 -54.5 -169.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -78.24 -36.44 47.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.346 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.9 29.22 6.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 41' ' ' ASP . 40.5 t -130.08 125.71 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 tt -136.04 104.15 5.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.075 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.44 ' CB ' ' HD1' ' A' ' 83' ' ' TRP . . . -81.97 94.72 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.526 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -83.2 160.08 21.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.348 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.679 ' CG ' ' CD2' ' A' ' 73' ' ' PHE . 2.1 t30 -118.66 75.74 13.11 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.453 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.98 22.73 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.543 1.812 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -123.29 3.78 9.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 4.8 p-10 -37.55 -44.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.538 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER 77.73 -22.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.556 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 4.0 m -69.86 154.7 41.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.957 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.422 ' N ' HG22 ' A' ' 34' ' ' VAL . 57.5 p -156.69 151.87 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.549 ' CG1' ' CD1' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -138.36 166.55 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.523 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.1 m -110.79 149.73 30.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.429 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 61' ' ' GLY . . . -81.52 160.19 23.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.6 p30 -121.13 119.93 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.1 -91.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.605 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.3 t-20 -36.11 -44.35 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.532 ' O ' ' HB1' ' A' ' 57' ' ' ALA . . . 122.98 8.5 6.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 3.3 m -84.22 130.96 34.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.481 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -66.17 157.22 31.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.372 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.406 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 5.2 p -156.59 108.3 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.972 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.458 ' CG2' ' HB ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER 179.02 173.4 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.446 ' N ' HG23 ' A' ' 65' ' ' THR . 49.0 m -87.79 118.75 27.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 0.0 110.063 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.52 ' HB2' ' CG2' ' A' ' 21' ' ' VAL . 0.2 OUTLIER -96.91 147.8 23.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.581 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 1.1 t -91.33 86.13 6.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.471 ' CG1' HG22 ' A' ' 110' ' ' ILE . 19.3 t -65.63 69.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.694 ' HG3' ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -72.82 135.71 45.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.357 179.926 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.515 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 11.1 ttm180 -85.98 -68.98 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.592 1.183 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.28 99.93 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.694 ' CE1' ' HG3' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -133.16 157.73 44.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.523 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 3.5 pm0 -97.16 80.03 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.408 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -70.55 149.05 46.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 9.5 m-85 -120.36 130.73 54.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.611 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 11.0 mp -37.94 -67.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER 154.4 -23.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.397 1.06 . . . . 0.0 111.021 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -91.6 -35.57 14.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 166.4 -27.07 0.17 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.9 m -70.84 157.29 38.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 0.781 . . . . 0.0 110.368 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.553 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -158.3 153.43 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.955 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.44 ' HD1' ' CB ' ' A' ' 46' ' ' ALA . 50.4 m95 -83.52 -52.98 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.523 ' HA2' ' CB ' ' A' ' 74' ' ' GLU . . . 84.22 140.65 4.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.549 ' O ' ' CG2' ' A' ' 85' ' ' THR . 1.4 t 33.28 43.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 0.75 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -82.83 137.05 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' THR . 1.5 m-20 -73.62 102.4 3.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 1.241 ' SG ' ' SG ' ' A' ' 93' ' ' CYS . 1.7 m -48.92 -38.82 23.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.437 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -63.32 -30.22 71.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 110.374 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 87' ' ' ASP . 21.0 m -73.21 -29.52 62.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.522 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -119.64 24.72 10.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.183 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 31.31 54.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 1.241 ' SG ' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -52.51 -176.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 108.303 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -144.77 163.23 34.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.441 ' CG2' ' NE2' ' A' ' 36' ' ' GLN . 59.4 t -129.47 107.97 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -121.39 -163.2 11.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.549 ' CD1' ' CG1' ' A' ' 55' ' ' VAL . 3.0 mm? -118.79 166.64 12.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.4 146.29 28.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.95 179.913 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -110.75 177.82 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.58 31.69 0.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -155.91 -44.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.555 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -80.33 -53.39 4.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.555 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.5 p30 37.06 -162.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.255 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.514 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 80.16 -162.84 46.57 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 164.73 32.85 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.01 -81.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.521 ' C ' ' CG2' ' A' ' 108' ' ' VAL . . . 154.03 -159.35 28.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.042 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.521 ' CG2' ' C ' ' A' ' 107' ' ' GLY . 2.9 t 86.72 74.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.412 ' HA ' ' HB3' ' A' ' 94' ' ' GLN . . . -69.26 105.05 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.496 HG22 ' CD1' ' A' ' 13' ' ' LEU . 3.4 mt -98.9 119.53 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.565 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -82.43 100.24 9.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.625 ' CE1' ' HB3' ' A' ' 88' ' ' CYS . 51.1 m-85 -80.45 12.66 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.85 161.11 32.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.535 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.4 Cg_endo -74.98 127.98 11.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.535 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -175.41 148.06 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.362 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.437 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -90.61 175.79 6.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.491 ' HA ' ' CG2' ' A' ' 108' ' ' VAL . 45.6 p -152.14 149.74 29.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.525 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -129.29 146.31 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.486 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -43.81 -56.29 7.61 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.532 ' HB2' ' CD2' ' A' ' 13' ' ' LEU . 18.4 Cg_endo -74.94 -157.05 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.557 1.82 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.49 ' O ' HG21 ' A' ' 110' ' ' ILE . 2.6 p -158.47 -27.03 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.46 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 63.0 p -165.39 175.56 9.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.039 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 56.52 33.79 62.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.457 1.098 . . . . 0.0 111.057 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.549 ' CD1' ' CG1' ' A' ' 69' ' ' VAL . 4.6 mt -67.68 -142.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.303 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -161.06 157.27 25.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.979 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.481 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 33.6 t70 -51.94 91.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 90.54 44.89 4.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.517 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -64.01 77.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.563 0.802 . . . . 0.0 110.397 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 8.5 t -67.86 98.13 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' A' ' 17' ' ' THR . 4.0 m -131.59 177.61 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -69.38 136.54 51.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.478 ' CG2' HG12 ' A' ' 7' ' ' VAL . 38.6 t -138.81 137.68 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -138.59 162.9 33.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.684 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 87.15 -176.12 46.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.684 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 148.52 -144.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 0.795 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -66.63 -0.31 8.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.565 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER 49.49 51.87 15.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 0.74 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.446 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 58.2 tp60 -65.42 -99.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' A' ' 59' ' ' ALA . . . 168.71 88.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 41.14 47.57 4.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -125.63 154.28 42.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 110.445 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.73 146.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.592 ' CD1' ' HB3' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -153.19 80.45 1.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.939 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 98' ' ' SER . 2.9 t70 -57.17 130.23 45.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.538 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 37.4 t -66.31 141.87 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.32 145.49 14.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.138 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -131.73 119.06 20.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.461 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 4.8 m -127.11 174.26 9.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 108.318 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -150.8 166.74 29.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -90.34 150.58 21.84 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.565 HG12 ' CZ2' ' A' ' 83' ' ' TRP . 2.1 t -119.53 -143.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -115.13 138.5 50.83 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.513 ' CB ' ' O ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER 83.94 20.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.63 1.42 90.16 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.459 ' CG2' HG22 ' A' ' 42' ' ' THR . 13.1 t -65.84 148.54 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.737 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.14 127.33 48.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' CD1' ' A' ' 83' ' ' TRP . . . -108.53 112.01 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.461 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -88.57 160.02 17.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 8.4 t-20 -112.68 94.36 28.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 42.49 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.576 1.83 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -131.54 0.54 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.507 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -47.5 -57.69 5.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.463 ' O ' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.57 -56.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 -180.0 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.538 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.0 m -36.01 156.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.962 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.48 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 24.1 p -159.19 145.84 16.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.472 HG23 ' CB ' ' A' ' 65' ' ' THR . 2.0 p -149.69 -160.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.4 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -141.83 159.35 42.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.37 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -82.2 178.05 8.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.9 p30 -131.42 119.85 22.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.94 -88.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.658 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.9 m120 -35.93 -45.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.565 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 124.33 5.6 7.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.483 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -87.77 139.53 30.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 110.009 -180.0 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.575 ' CB ' ' CD2' ' A' ' 97' ' ' LEU . . . -73.39 170.37 15.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.416 ' O ' ' HB ' ' A' ' 65' ' ' THR . 6.1 p -169.28 102.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.041 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.514 ' CG2' ' CD1' ' A' ' 67' ' ' LEU . 1.3 t -178.37 173.69 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.361 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 42.8 m -84.67 105.74 15.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.039 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.514 ' CD1' ' CG2' ' A' ' 65' ' ' THR . 6.7 mp -100.09 151.56 21.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.652 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -90.32 94.95 9.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.359 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.549 ' CG1' ' CD1' ' A' ' 13' ' ' LEU . 2.9 t -69.66 62.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.652 ' NE ' ' O ' ' A' ' 68' ' ' THR . 1.7 mtm180 -38.3 157.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.524 ' CG ' ' HB2' ' A' ' 112' ' ' PHE . 1.3 ttt180 -111.88 -64.3 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 13.3 p -119.28 158.57 25.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.431 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 2.9 p90 168.23 -168.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.656 ' HA ' ' H ' ' A' ' 85' ' ' THR . 1.2 pm0 -97.5 106.36 18.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.363 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -80.58 169.27 52.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.403 1.064 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -141.79 138.96 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 3.7 mm? -54.61 -63.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER 157.82 -20.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 111.034 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -97.03 -47.54 5.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.14 46.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.2 m -124.27 127.87 48.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.402 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 158.43 6.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.565 ' CZ2' HG12 ' A' ' 40' ' ' VAL . 69.8 t-105 -169.27 177.43 4.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 108.047 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 59.1 -76.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.656 ' H ' ' HA ' ' A' ' 74' ' ' GLU . 12.9 t 37.54 29.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 0.717 . . . . 0.0 110.389 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.537 ' CG1' ' N ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 179.42 -164.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.537 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 1.8 m-20 -45.03 122.38 3.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.54 ' SG ' ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -93.58 -29.17 15.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 108.325 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.577 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 10.4 t -48.43 -33.62 9.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 0.0 110.443 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -26.23 66.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -102.56 17.99 22.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 35.53 61.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.23 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 2.7 m -64.3 172.06 2.73 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 108.25 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.466 ' HG3' ' CB ' ' A' ' 106' ' ' GLU . 7.3 pm0 -140.52 159.02 43.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.361 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.426 ' HA ' ' HG2' ' A' ' 36' ' ' GLN . 14.3 p -129.36 104.4 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -126.48 164.38 20.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.592 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 1.3 mm? -86.52 136.61 33.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.497 ' HB3' ' CA ' ' A' ' 104' ' ' GLY . 0.1 OUTLIER -139.55 149.78 44.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.927 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -77.19 163.42 26.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.606 ' O ' ' CB ' ' A' ' 101' ' ' ALA . . . -83.21 30.61 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.606 ' CB ' ' O ' ' A' ' 100' ' ' ALA . . . 153.77 39.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.427 1.079 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.4 ' HA3' ' CG ' ' A' ' 99' ' ' ASP . . . -126.08 -62.09 0.16 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 98' ' ' SER . 9.9 t-20 177.92 -165.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 0.737 . . . . 0.0 109.357 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.497 ' CA ' ' HB3' ' A' ' 98' ' ' SER . . . 170.36 64.07 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -74.98 105.18 2.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.555 1.819 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.466 ' CB ' ' HG3' ' A' ' 94' ' ' GLN . 2.3 mt-10 38.14 -102.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.48 -80.45 0.34 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' A' ' 6' ' ' THR . 3.8 p -147.89 106.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 109.316 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.428 ' CA ' ' HB3' ' A' ' 94' ' ' GLN . . . -87.94 117.77 27.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.532 HG22 ' CD1' ' A' ' 13' ' ' LEU . 7.7 mt -126.0 157.32 36.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER -91.67 103.49 16.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.934 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.577 ' O ' ' CB ' ' A' ' 89' ' ' THR . 1.0 OUTLIER -85.21 136.35 33.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.447 ' C ' ' NE ' ' A' ' 71' ' ' ARG . 1.6 m120 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.546 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . -87.88 -58.68 0.27 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.608 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.0 166.21 29.69 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.608 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 178.41 160.5 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.446 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' A' ' 97' ' ' LEU . . . -106.92 158.0 17.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.464 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 6.9 p -151.63 160.52 43.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.561 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 6.6 t -113.14 135.4 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.607 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -36.48 -62.06 0.56 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.37 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.607 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.02 -157.99 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 111' ' ' SER . 0.1 OUTLIER -164.26 38.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.997 179.948 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.429 ' CB ' ' HG ' ' A' ' 13' ' ' LEU . 16.7 p -154.84 103.28 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.656 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -72.39 4.08 21.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.656 ' C ' ' O ' ' A' ' 12' ' ' GLY . 8.9 mt -15.65 -59.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 0.724 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -74.63 123.57 25.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.965 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.528 ' HA ' ' HG2' ' A' ' 71' ' ' ARG . 10.8 p30 -62.98 94.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.587 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 98.14 36.86 4.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.516 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 89.8 m -58.16 83.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.425 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.8 t -70.03 77.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.514 ' O ' ' HA ' ' A' ' 66' ' ' SER . 14.2 m -103.14 173.08 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.186 -179.908 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -61.28 145.2 52.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.235 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.511 HG22 ' CG1' ' A' ' 7' ' ' VAL . 27.3 t -143.78 146.09 21.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.142 . . . . 0.0 109.254 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.434 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -149.23 154.56 39.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.372 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.569 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 100.97 175.58 29.22 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 157.15 -155.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.226 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.66 -0.59 8.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.56 ' N ' ' HH ' ' A' ' 32' ' ' TYR . 3.8 tp 49.72 65.76 1.32 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 0.788 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -89.56 -90.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.29 -179.968 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 165.05 97.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 40.07 34.0 0.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.84 154.38 19.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.729 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.61 146.2 10.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.385 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.56 ' HH ' ' N ' ' A' ' 26' ' ' LEU . 3.0 m-85 -150.77 81.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 111.009 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.414 ' O ' ' OG ' ' A' ' 98' ' ' SER . 16.1 t70 -58.01 132.35 53.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.571 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 59.7 t -71.81 147.31 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -128.52 -171.62 13.03 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.527 ' CG ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 171.67 109.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.243 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.563 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 14.9 m -119.36 170.62 8.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -134.75 176.12 8.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 44' ' ' VAL . 1.8 t90 -120.56 147.22 45.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 41' ' ' ASP . 95.9 t -133.65 -108.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.44 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -57.64 178.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 m -69.24 88.71 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 110.382 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.24 -14.4 36.6 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.445 1.091 . . . . 0.0 111.068 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.53 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 24.5 t -72.66 140.2 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.724 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 77' ' ' LEU . 1.6 tp -131.51 135.87 47.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -114.3 92.26 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.549 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -69.82 155.81 39.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 108.36 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 30.9 t-20 -112.62 87.7 10.18 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.398 1.061 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.98 35.0 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -135.59 5.96 3.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.411 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 1.9 m-20 -45.88 -46.69 15.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.69 -56.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.571 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.3 m -32.82 147.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.498 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 60.8 p -158.57 148.49 19.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.587 ' CG2' ' CG2' ' A' ' 65' ' ' THR . 1.2 p -151.16 -162.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.218 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 12.8 m -138.18 170.96 15.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 61' ' ' GLY . . . -89.4 177.13 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.622 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.1 p30 -132.6 120.59 22.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.241 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.07 -90.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.622 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.3 m-20 -35.44 -46.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.556 ' O ' ' HB1' ' A' ' 57' ' ' ALA . . . 125.09 7.15 6.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.7 OUTLIER -87.86 141.36 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 110.02 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.49 ' CB ' ' HG ' ' A' ' 97' ' ' LEU . . . -75.19 165.42 25.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.473 ' O ' ' HB ' ' A' ' 65' ' ' THR . 3.5 p -164.41 107.23 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.098 . . . . 0.0 109.966 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.587 ' CG2' ' CG2' ' A' ' 55' ' ' VAL . 8.9 t 179.26 -179.35 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.363 -179.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 4.5 m -91.0 123.76 34.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.022 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 4.2 mt -113.18 138.46 49.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.601 ' CG2' ' CZ ' ' A' ' 70' ' ' ARG . 8.9 t -82.9 109.53 17.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.445 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.661 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 2.1 t -80.68 65.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.601 ' CZ ' ' CG2' ' A' ' 68' ' ' THR . 0.0 OUTLIER -61.57 124.47 20.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 110.288 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.58 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -83.31 -75.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.541 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 64.8 p -84.64 120.18 26.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.564 ' CD2' ' HG3' ' A' ' 70' ' ' ARG . 8.4 p90 -163.65 179.27 7.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.38 128.43 33.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.445 ' HA3' ' CB ' ' A' ' 46' ' ' ALA . . . -116.21 159.57 13.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 45.4 t80 -133.12 132.05 41.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.633 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 8.3 mt -40.43 -59.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.633 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER 152.01 -26.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.956 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.429 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 4.5 t0 173.42 51.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.95 -52.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.479 ' HB ' ' CD1' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -153.25 169.29 23.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 110.361 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.475 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.2 OUTLIER -122.56 124.22 43.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.968 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.429 ' NE1' HG22 ' A' ' 40' ' ' VAL . 7.7 m95 -63.28 -86.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 108.002 -179.936 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 102.66 141.67 11.73 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.543 ' O ' ' CG2' ' A' ' 85' ' ' THR . 0.7 OUTLIER 26.57 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 0.719 . . . . 0.0 110.432 -179.937 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.79 133.5 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.78 105.83 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -68.11 -26.45 65.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 108.324 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.518 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -53.56 -18.29 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.68 -19.78 48.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.435 1.084 . . . . 0.0 110.377 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -135.55 24.08 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 32.27 90.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.656 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 1.1 p -63.22 -172.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.413 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 1.3 pm0 -142.4 146.95 35.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.476 HG11 ' CG2' ' A' ' 7' ' ' VAL . 12.1 p -122.62 126.29 73.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.498 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -142.57 175.34 22.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.49 ' HG ' ' CB ' ' A' ' 63' ' ' ALA . 4.6 mm? -96.08 147.81 23.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -131.82 152.91 50.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.979 -179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.1 179.98 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.78 -14.13 13.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -99.21 -7.14 26.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.22 30.36 71.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.422 1.076 . . . . 0.0 110.992 -179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -97.46 -171.76 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.52 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 63.4 58.03 12.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.52 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.3 Cg_endo -74.99 -172.71 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.443 1.76 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.62 71.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.498 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . -71.18 -84.69 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 7.9 p -175.4 134.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.77 115.32 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 109.254 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.58 ' CG2' ' N ' ' A' ' 12' ' ' GLY . 26.2 mt -112.61 150.26 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.505 ' N ' HG21 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -81.3 84.16 6.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.661 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 95.6 m-85 -78.45 137.53 38.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.536 ' ND2' ' CZ ' ' A' ' 71' ' ' ARG . 2.5 t30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.9 161.77 41.28 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.561 ' O ' ' CB ' ' A' ' 4' ' ' THR . 18.5 Cg_endo -74.97 -38.36 1.64 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.446 1.761 . . . . 0.0 111.016 179.904 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.561 ' CB ' ' O ' ' A' ' 3' ' ' PRO . 2.0 m 87.21 168.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.446 ' HB3' ' CD2' ' A' ' 97' ' ' LEU . . . -86.45 143.32 27.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.526 ' HA ' ' CG1' ' A' ' 108' ' ' VAL . 15.3 p -149.03 154.48 39.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.556 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -107.69 131.71 57.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.46 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.23 -54.78 1.1 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.556 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.98 163.13 35.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.806 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.558 ' C ' HG23 ' A' ' 110' ' ' ILE . 93.6 p -125.73 2.79 7.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.463 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 99.7 p -164.0 160.84 22.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.51 ' C ' ' H ' ' A' ' 14' ' ' SER . . . 47.94 46.81 26.05 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.592 HD13 ' CG ' ' A' ' 112' ' ' PHE . 0.2 OUTLIER -66.23 1.86 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.544 ' O ' ' O ' ' A' ' 13' ' ' LEU . 1.2 t 56.3 134.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 109.986 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.548 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -68.32 109.13 3.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.01 31.31 29.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.56 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -102.07 106.52 17.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.404 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.487 ' CG1' ' HB2' ' A' ' 66' ' ' SER . 2.1 t -79.59 102.6 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -108.83 168.93 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 120.22 11.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.439 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 73.7 t -124.03 138.2 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -136.34 159.89 40.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.683 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 96.05 -175.03 31.94 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.459 1.1 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.683 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 146.71 -157.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 0.807 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.87 -3.45 4.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.513 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 48.26 65.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.486 ' HG2' ' CG2' ' A' ' 30' ' ' THR . 6.9 tp60 -72.63 -104.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.411 1.069 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 167.17 55.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.28 71.93 1.29 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.486 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -160.0 160.88 33.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 0.74 . . . . 0.0 110.384 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.75 153.55 16.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.428 ' HB3' ' CD1' ' A' ' 97' ' ' LEU . 0.9 OUTLIER -149.19 80.05 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 111.033 179.904 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -54.91 127.91 30.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.588 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 38.0 t -68.8 149.51 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -127.21 -158.43 9.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.521 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 163.19 117.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 0.755 . . . . 0.0 110.368 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.455 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 17.8 m -125.17 -176.88 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 108.295 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.485 ' CB ' ' SG ' ' A' ' 88' ' ' CYS . . . -147.94 145.44 28.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.505 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 10.2 m95 -91.26 122.72 34.13 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.541 HG22 ' CD1' ' A' ' 83' ' ' TRP . 51.4 t -86.0 -114.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 43' ' ' GLY . 0.4 OUTLIER -91.21 40.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 67.92 -62.94 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -68.84 -5.63 47.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 77' ' ' LEU . 45.1 t -130.04 134.73 62.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 0.806 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.06 132.85 42.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' HB3' ' A' ' 83' ' ' TRP . . . -118.94 127.98 53.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.455 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -93.25 163.84 13.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 108.297 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.521 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 6.7 t-20 -113.04 92.83 22.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.94 40.87 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -137.59 5.85 2.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.222 -179.881 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.513 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -41.12 -50.42 3.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.55 -60.76 0.38 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.588 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.4 m -33.38 148.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 109.928 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.414 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 47.8 t -153.91 141.58 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.583 ' CG2' ' CG2' ' A' ' 65' ' ' THR . 1.2 p -143.84 -157.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 1.8 m -145.74 169.71 17.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.427 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.478 ' N ' ' CG2' ' A' ' 56' ' ' THR . . . -81.1 177.66 8.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.707 ' O ' ' C ' ' A' ' 59' ' ' ALA . 55.5 p30 -133.47 132.33 40.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -8.23 78.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.688 ' N ' ' O ' ' A' ' 58' ' ' ASP . 8.8 t30 150.75 -37.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.513 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 120.27 -7.9 11.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.966 179.901 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -75.77 133.23 40.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 0.734 . . . . 0.0 109.948 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -79.24 160.0 27.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.472 ' O ' ' HB ' ' A' ' 65' ' ' THR . 89.7 p -165.55 114.75 1.02 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 109.929 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.583 ' CG2' ' CG2' ' A' ' 55' ' ' VAL . 10.1 t 179.85 -141.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.437 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.487 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 9.5 p -129.85 120.17 24.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.497 ' HG ' ' CG2' ' A' ' 34' ' ' VAL . 4.9 mp -115.94 138.11 51.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.535 HG21 ' CZ ' ' A' ' 70' ' ' ARG . 3.8 t -80.85 101.55 9.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.624 HG13 ' CE2' ' A' ' 112' ' ' PHE . 2.3 t -68.96 60.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.584 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 0.2 OUTLIER -43.35 129.95 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.572 ' O ' ' CE2' ' A' ' 73' ' ' PHE . 7.5 tmm_? -99.79 -70.56 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.258 -179.93 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.521 ' CB ' ' N ' ' A' ' 87' ' ' ASP . 90.8 p -89.72 131.38 35.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE2' ' O ' ' A' ' 71' ' ' ARG . 20.8 p90 -172.13 -169.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.473 ' HA ' ' HA3' ' A' ' 84' ' ' GLY . 3.2 pt-20 -127.39 74.16 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.665 ' H ' ' HA3' ' A' ' 84' ' ' GLY . . . -62.33 -162.48 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.55 ' CD2' ' O ' ' A' ' 81' ' ' THR . 0.4 OUTLIER -159.39 151.25 20.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 0.73 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.621 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 6.2 mt -67.69 -43.62 79.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.237 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.621 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 3.6 t80 85.05 8.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.27 -38.89 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.431 179.895 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.95 40.34 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.55 ' O ' ' CD2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -170.69 169.1 7.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 0.78 . . . . 0.0 110.371 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -110.5 -179.52 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.541 ' CD1' HG22 ' A' ' 40' ' ' VAL . 20.7 t-105 -173.64 -177.27 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 107.959 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.665 ' HA3' ' H ' ' A' ' 75' ' ' GLY . . . 111.97 -57.14 0.44 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.542 ' O ' HG12 ' A' ' 86' ' ' VAL . 13.5 t 30.88 68.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 0.809 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.611 ' CG1' ' N ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER 48.29 -149.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.611 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -24.06 121.72 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.578 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -109.31 -15.94 14.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 108.227 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 12.3 t -45.99 -23.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -75.55 -23.78 56.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.426 179.953 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.578 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -101.22 -13.02 18.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 91' ' ' ALA . . . 80.04 90.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -82.0 161.59 22.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 108.299 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.463 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 14.5 pm0 -140.58 143.23 35.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.468 HG23 ' CG ' ' A' ' 36' ' ' GLN . 2.6 t -114.23 118.08 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.533 ' CA ' ' CA ' ' A' ' 107' ' ' GLY . . . -129.27 175.95 18.68 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.547 1.154 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.465 ' CG ' ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -102.11 156.21 17.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.344 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -133.06 150.24 52.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.463 ' HD2' ' ND2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -103.98 -174.74 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.942 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.83 6.91 9.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.92 -13.02 14.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 70.3 35.2 69.48 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.463 ' ND2' ' HD2' ' A' ' 99' ' ' ASP . 14.7 m-20 -50.94 -177.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 0.796 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.73 160.61 37.2 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.613 1.195 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.415 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.95 -93.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.537 1.809 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.516 ' O ' ' CG2' ' A' ' 4' ' ' THR . 2.3 mt-10 60.0 44.5 13.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.533 ' CA ' ' CA ' ' A' ' 96' ' ' GLY . . . -68.38 -103.33 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.526 ' CG1' ' HA ' ' A' ' 6' ' ' THR . 3.7 p -163.29 111.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.67 97.65 1.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.558 HG23 ' C ' ' A' ' 10' ' ' SER . 24.5 mt -110.62 169.47 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.463 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -87.56 113.78 23.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.006 179.949 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.624 ' CE2' HG13 ' A' ' 69' ' ' VAL . 4.4 m-85 -94.6 125.81 39.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.975 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.72 95.04 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.519 ' C ' ' CG2' ' A' ' 4' ' ' THR . 18.1 Cg_endo -75.05 -88.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.79 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.519 ' CG2' ' C ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER 67.93 157.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.406 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.49 ' HB1' ' CD2' ' A' ' 97' ' ' LEU . . . -79.03 141.69 37.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.491 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 7.4 p -144.8 154.73 42.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 110.407 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.549 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 53.5 t -110.09 123.77 66.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.707 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -35.29 -67.94 0.2 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 0.0 110.324 -179.972 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.707 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.0 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.438 1.757 . . . . 0.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 p -162.49 32.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 111' ' ' SER . 26.5 p -137.97 77.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.918 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.651 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -66.91 -0.98 9.88 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 179.938 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.651 ' C ' ' O ' ' A' ' 12' ' ' GLY . 1.6 mt -17.81 -56.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -66.6 115.72 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.546 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 39.7 t0 -55.16 96.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 18' ' ' VAL . . . 101.17 37.72 3.51 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.461 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -60.19 80.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.79 . . . . 0.0 110.384 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 7.0 t -68.72 92.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.516 HG22 ' CG1' ' A' ' 7' ' ' VAL . 1.8 m -115.43 172.93 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -73.41 139.16 45.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 6' ' ' THR . 91.7 t -135.33 139.78 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -139.17 155.45 47.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.7 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 103.72 -175.45 23.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.7 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 146.49 -159.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.54 -3.92 3.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.545 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 46.81 68.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.336 -179.942 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.558 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 12.8 mm-40 -80.6 -100.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 158.92 57.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.57 67.55 0.89 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.0 m -153.14 167.94 27.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.413 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.38 152.91 32.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.541 ' OH ' ' CG ' ' A' ' 27' ' ' GLN . 15.8 m-85 -147.91 77.93 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.2 130.4 38.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.517 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 10.9 t -66.74 152.82 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.409 ' HA2' ' OD1' ' A' ' 51' ' ' ASP . . . -142.53 168.36 25.88 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.518 ' CG ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -164.88 120.5 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.307 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.441 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 11.4 m -131.96 178.86 6.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.5 ' CB ' ' SG ' ' A' ' 88' ' ' CYS . . . -145.35 113.91 6.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.45 ' HB2' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -88.85 134.18 34.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.586 1.179 . . . . 0.0 107.99 -179.972 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.447 ' HB ' ' O ' ' A' ' 44' ' ' VAL . 43.7 t -115.82 -115.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 43' ' ' GLY . 1.3 m-20 -75.26 57.07 0.85 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.442 ' C ' ' H ' ' A' ' 44' ' ' VAL . 1.2 m 58.99 -77.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -77.99 33.82 1.7 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.482 ' CG1' HG22 ' A' ' 81' ' ' THR . 62.2 t -147.22 64.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.497 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 5.3 tt -111.8 107.2 16.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -88.64 122.98 32.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.521 ' HB2' ' CG ' ' A' ' 78' ' ' PHE . 1.1 m -90.69 156.18 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.615 ' OD1' ' CD1' ' A' ' 73' ' ' PHE . 10.9 t30 -115.55 86.71 15.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.645 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.95 37.54 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -124.76 -2.27 7.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.511 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -40.43 -51.82 2.81 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.17 -53.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.107 . . . . 0.0 111.037 -179.945 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.517 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.1 m -35.99 153.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 t -154.13 144.46 22.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.546 ' CG1' HD13 ' A' ' 97' ' ' LEU . 1.8 p -142.85 167.14 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.497 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.1 m -121.43 153.63 37.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 61' ' ' GLY . . . -59.85 173.87 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.706 ' O ' ' C ' ' A' ' 59' ' ' ALA . 46.7 p30 -135.17 128.48 32.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.706 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -3.57 74.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.692 ' N ' ' O ' ' A' ' 58' ' ' ASP . 12.2 t30 156.42 -39.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.545 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 122.77 -8.18 9.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.3 t -78.68 131.47 36.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 0.803 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -78.9 156.73 28.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.221 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.3 p -152.41 115.71 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.525 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.5 OUTLIER 177.91 167.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.463 ' N ' HG21 ' A' ' 65' ' ' THR . 22.5 p -86.95 121.47 29.46 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.4 1.062 . . . . 0.0 110.019 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.497 ' CD1' HG23 ' A' ' 65' ' ' THR . 8.0 mp -105.39 146.53 29.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.463 HG21 ' NE ' ' A' ' 70' ' ' ARG . 9.1 t -86.24 95.82 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.686 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 19.2 t -71.53 64.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.633 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 4.1 mtm180 -48.4 142.97 5.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.554 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -88.83 -58.02 2.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 88.1 p -126.92 157.42 39.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.653 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 31.8 p90 176.66 -165.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.548 ' HG3' ' CE1' ' A' ' 76' ' ' PHE . 4.9 pm0 -83.95 110.69 18.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.11 121.01 5.89 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.597 1.186 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.645 ' CD1' ' HD2' ' A' ' 49' ' ' PRO . 22.8 m-85 -97.73 121.06 39.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.795 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.634 ' HA ' ' O ' ' A' ' 81' ' ' THR . 1.3 mt -25.29 -78.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.521 ' CG ' ' HB2' ' A' ' 47' ' ' CYS . 11.9 t80 67.28 4.93 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.184 . . . . 0.0 111.027 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.7 t0 178.09 -36.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.35 54.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.634 ' O ' ' HA ' ' A' ' 77' ' ' LEU . 1.8 m -144.21 95.25 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.773 . . . . 0.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.497 ' N ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -92.61 98.58 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.358 179.911 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.59 ' CD1' HG21 ' A' ' 81' ' ' THR . 18.2 m95 -114.72 -82.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 108.011 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 74' ' ' GLU . . . 87.26 -33.98 3.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.445 ' O ' ' CG2' ' A' ' 85' ' ' THR . 0.9 OUTLIER -163.93 84.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 110.385 -179.952 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.546 HG11 ' CD2' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -152.4 178.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.497 ' HA ' ' CB ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -83.77 144.07 29.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.653 ' SG ' ' CZ ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -96.78 -24.48 15.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 108.283 -179.936 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.46 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 13.9 t -63.03 -26.37 68.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.098 . . . . 0.0 110.34 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.09 -19.92 50.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -112.3 25.56 11.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 37.04 64.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.631 ' HB3' ' CE1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -50.49 178.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.318 -179.94 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 17.1 pm0 -159.6 147.07 16.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 110.24 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.518 ' CG2' ' CG ' ' A' ' 36' ' ' GLN . 22.1 t -118.44 121.36 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.23 -171.12 12.47 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.546 HD13 ' CG1' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -105.48 150.88 24.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 0.747 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -131.28 110.32 11.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -109.48 -176.48 3.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.24 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.57 20.25 3.5 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -177.15 52.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -179.12 -33.85 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.093 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.446 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.4 p30 -41.03 163.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 130.62 -165.63 22.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.95 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.506 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.4 Cg_endo -74.94 107.74 2.55 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.797 . . . . 0.0 111.044 179.92 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.6 OUTLIER 179.38 36.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -79.86 172.46 54.85 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.509 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 1.4 p -97.17 110.58 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.381 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.0 116.84 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.514 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 32.5 mt -118.51 151.27 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.373 179.921 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.473 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -84.08 93.33 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.943 -179.92 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.686 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 71.3 m-85 -85.75 14.99 5.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.455 ' N ' ' OG1' ' A' ' 89' ' ' THR . 10.9 t30 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.579 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . . . -87.09 -60.23 0.26 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.579 ' HD3' ' CB ' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -75.01 -148.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.502 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 3.1 m -99.51 -6.07 28.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.531 ' CB ' ' HA ' ' A' ' 24' ' ' ALA . . . -71.62 127.35 32.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 5' ' ' ALA . 66.9 p -154.43 153.4 31.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.902 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.649 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.0 t -112.49 135.05 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 7' ' ' VAL . 0.8 OUTLIER -32.59 -53.23 0.6 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 -179.961 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.649 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.05 -149.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.542 1.812 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.403 ' H ' ' HB2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER 175.61 -23.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.454 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 88.5 p -172.05 165.81 6.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.935 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.94 35.94 92.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.513 ' CD2' ' HB2' ' A' ' 9' ' ' PRO . 3.9 mt -92.88 -148.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -156.18 152.03 27.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.541 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 31.3 t0 -53.77 108.47 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.42 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 89.03 36.01 7.9 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.525 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -71.54 82.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 110.404 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.5 t -65.15 90.81 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.509 HG21 ' CD ' ' A' ' 9' ' ' PRO . 1.4 m -112.43 -171.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -100.71 117.38 34.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.524 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 4.1 t -103.57 145.64 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.368 179.913 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.82 159.69 41.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.725 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 84.03 -166.22 42.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.725 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 142.6 -129.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.19 3.03 67.74 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 41.55 67.36 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 0.788 . . . . 0.0 109.323 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.513 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 9.1 mm-40 -87.0 -100.19 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 165.36 83.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.51 28.34 73.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.8 m -103.64 154.7 19.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.396 0.704 . . . . 0.0 110.395 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 99' ' ' ASP . . . -63.21 159.38 17.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.513 ' OH ' ' CG ' ' A' ' 27' ' ' GLN . 13.0 m-85 -156.64 75.76 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 111.07 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -53.37 142.2 22.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.565 ' CG2' ' HB3' ' A' ' 53' ' ' SER . 4.0 t -67.35 148.62 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -116.97 -89.2 1.42 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.556 1.16 . . . . 0.0 111.065 179.891 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.565 ' OE1' ' NE ' ' A' ' 70' ' ' ARG . 1.5 tp60 70.45 104.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.528 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 20.7 m -130.94 177.14 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.269 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.488 ' CB ' ' HB2' ' A' ' 93' ' ' CYS . . . -144.69 123.14 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.6 129.45 37.98 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.531 HG21 ' CD1' ' A' ' 83' ' ' TRP . 81.8 t -112.57 -104.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.423 ' CB ' HG22 ' A' ' 44' ' ' VAL . 1.8 t0 -59.35 -165.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -70.95 -48.96 50.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.14 32.2 5.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.423 HG22 ' CB ' ' A' ' 41' ' ' ASP . 23.9 t -127.28 133.23 68.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.596 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -138.51 106.84 5.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -73.3 101.54 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.622 ' C ' ' HD3' ' A' ' 49' ' ' PRO . 0.5 OUTLIER -80.54 163.47 23.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 108.266 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.661 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 31.5 t-20 -115.63 70.87 3.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.622 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.98 8.45 2.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.552 1.817 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.645 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . . . -99.81 -5.22 28.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.551 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 3.0 p-10 -54.24 -51.61 63.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.645 ' CE1' ' HA ' ' A' ' 50' ' ' ALA . 12.2 m-85 69.14 -8.49 0.69 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.565 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 3.8 m -65.17 158.43 26.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 78.7 p -149.74 153.26 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.497 HG13 ' CB ' ' A' ' 32' ' ' TYR . 13.0 p -145.46 170.78 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.81 149.93 52.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.465 179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.51 176.28 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.695 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.9 p-10 -135.44 134.88 40.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.695 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.4 79.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.675 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.9 t30 150.95 -34.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.464 ' HA3' ' C ' ' A' ' 27' ' ' GLN . . . 115.88 -3.3 21.14 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -82.81 127.51 33.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.035 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -62.79 165.34 6.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.472 ' O ' ' HB ' ' A' ' 65' ' ' THR . 85.8 p -169.94 107.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.483 ' CG2' ' N ' ' A' ' 66' ' ' SER . 0.7 OUTLIER 178.98 -165.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.438 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.483 ' N ' ' CG2' ' A' ' 65' ' ' THR . 93.2 p -101.77 134.91 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.065 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.483 ' CD2' HD21 ' A' ' 97' ' ' LEU . 2.4 mp -125.0 137.33 54.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.604 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -80.35 89.36 5.55 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.476 1.11 . . . . 0.0 110.487 179.92 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.48 ' HB ' ' CB ' ' A' ' 17' ' ' THR . 89.5 t -62.74 69.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.604 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -73.41 122.14 21.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.541 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 0.4 OUTLIER -84.93 -79.31 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -76.8 100.63 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.661 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 3.0 p90 -144.04 147.77 34.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 1.8 pt-20 -75.4 104.9 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.48 161.21 29.74 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.919 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.502 ' O ' ' C ' ' A' ' 77' ' ' LEU . 5.8 m-85 -106.72 129.2 54.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 0.759 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 1.6 mm? -33.06 -68.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.596 ' CZ ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER 159.17 -24.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 110.938 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.24 -69.03 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -167.19 28.99 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.1 m -117.78 147.63 42.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' TRP . 17.2 ttp180 -109.7 105.92 15.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.531 ' CD1' HG21 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -40.79 -84.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 108.025 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.538 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 137.06 114.17 1.29 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.565 ' O ' ' CG2' ' A' ' 85' ' ' THR . 12.4 t 27.07 77.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 0.804 . . . . 0.0 110.363 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -91.71 119.18 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.479 ' CB ' ' HB ' ' A' ' 90' ' ' THR . 8.8 m-20 -71.56 105.19 3.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.621 ' HB3' ' CE1' ' A' ' 112' ' ' PHE . 2.4 m -53.19 -57.69 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.31 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.416 ' CG2' ' NE ' ' A' ' 71' ' ' ARG . 8.9 t -50.45 -28.48 8.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.479 ' HB ' ' CB ' ' A' ' 87' ' ' ASP . 52.5 m -79.78 -23.48 42.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.566 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -126.26 29.21 5.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.566 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 26.27 52.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.612 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -51.33 -179.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 108.282 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.518 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 6.2 pm0 -135.93 152.53 51.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.421 HG21 ' NE2' ' A' ' 36' ' ' GLN . 2.3 t -126.09 113.28 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.55 155.19 26.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.493 ' CD2' HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -106.71 139.06 41.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 0.793 . . . . 0.0 109.343 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 33' ' ' ASP . 1.0 OUTLIER -141.53 158.9 43.25 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.576 1.172 . . . . 0.0 110.004 -179.905 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.506 ' HD2' ' HG3' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -90.76 176.33 6.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.81 45.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.355 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 169.98 -28.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.6 -56.31 5.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -158.05 -162.62 1.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 0.785 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.482 ' O ' ' OG ' ' A' ' 98' ' ' SER . . . -156.17 -91.91 0.09 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.536 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -74.88 -161.14 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.6 tp10 89.14 26.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 106' ' ' GLU . . . -57.9 -153.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.518 ' N ' ' HB2' ' A' ' 94' ' ' GLN . 2.2 p -132.47 125.5 53.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.59 0.818 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.04 105.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.678 ' CG2' ' CE2' ' A' ' 112' ' ' PHE . 10.1 mt -99.17 136.81 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.22 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.454 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -92.82 83.85 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.173 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.678 ' CE2' ' CG2' ' A' ' 110' ' ' ILE . 0.9 OUTLIER -76.08 121.02 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 -179.97 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 -179.979 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.59 90.29 25.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.562 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.96 75.27 3.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.439 1.757 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.562 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 1.1 p -164.52 148.17 9.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -179.93 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.496 ' O ' ' CG2' ' A' ' 108' ' ' VAL . . . -102.52 167.12 10.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.496 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 6.4 p -152.59 157.3 40.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.549 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 4.6 t -95.06 122.23 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.581 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -29.01 -60.76 0.23 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.581 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.3 Cg_endo -74.93 -84.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 3.0 t 85.69 29.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.61 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 23.4 p 172.67 151.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.39 44.08 97.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.605 ' CD1' ' CG2' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -111.32 -152.33 0.5 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 17' ' ' THR . 4.6 t -152.98 163.06 40.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.064 179.928 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.525 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 2.6 p-10 -58.6 112.33 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.42 34.42 14.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.485 ' CG2' ' HB ' ' A' ' 69' ' ' VAL . 3.4 t -83.88 93.29 7.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 110.404 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.4 t -78.6 91.51 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.549 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 5.7 m -108.45 170.95 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -65.93 140.91 58.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.498 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 92.5 t -141.8 141.6 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.441 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -140.6 158.62 43.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.631 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 105.59 174.03 23.94 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.631 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 153.21 -162.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 0.801 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.483 ' HA2' ' CB ' ' A' ' 3' ' ' PRO . . . -60.53 -4.33 3.85 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.571 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER 50.59 62.11 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 0.742 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.456 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -90.14 -88.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 166.69 87.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 62.37 10.76 30.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 55.2 m -73.83 164.07 27.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 0.786 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.34 146.53 34.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.578 ' CD1' HD22 ' A' ' 97' ' ' LEU . 2.7 m-85 -145.11 77.96 1.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.443 ' O ' ' OG ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -44.67 129.33 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.555 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 28.3 t -69.66 138.74 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.415 ' HA2' ' OD1' ' A' ' 51' ' ' ASP . . . -112.31 -176.59 19.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.537 ' CB ' ' NH1' ' A' ' 70' ' ' ARG . 2.0 tp60 176.49 103.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.523 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 34.6 m -132.47 -179.1 5.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.276 -179.94 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -141.73 85.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -73.27 121.48 20.43 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.926 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.469 HG21 ' CA ' ' A' ' 91' ' ' ALA . 35.5 t -117.56 -117.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.91 175.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.5 m -66.1 90.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.41 -9.46 41.86 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.452 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 21.9 t -90.46 66.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 4.4 tt -108.28 122.48 47.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.563 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -100.26 100.68 11.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.676 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -80.7 152.34 28.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 108.293 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.535 ' ND2' ' CD1' ' A' ' 73' ' ' PHE . 6.5 t-20 -113.48 89.83 16.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.382 179.906 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.57 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 18.1 Cg_endo -75.1 44.03 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.42 3.04 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 53' ' ' SER . 4.0 p30 -45.65 -62.38 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.11 -47.6 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.985 179.94 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.555 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.1 m -38.61 155.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.934 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 p -146.32 140.36 26.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.475 ' CG2' ' HB2' ' A' ' 63' ' ' ALA . 2.7 p -127.3 153.23 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.452 ' N ' HG23 ' A' ' 55' ' ' VAL . 2.5 m -112.02 151.9 28.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.388 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.445 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -80.21 173.66 12.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.634 ' O ' ' N ' ' A' ' 60' ' ' ASN . 9.4 p30 -132.78 120.72 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.23 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.534 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.75 -89.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.634 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.6 m-20 -36.7 -46.94 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.571 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 130.11 -2.48 5.89 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.5 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 28.9 t -76.07 137.73 40.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 0.812 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -74.45 157.95 34.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.3 p -160.15 105.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.481 ' CG2' HD11 ' A' ' 67' ' ' LEU . 1.6 t -176.62 173.69 1.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 19.9 m -88.52 122.54 32.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.501 ' CD2' HG21 ' A' ' 34' ' ' VAL . 11.0 mp -112.34 142.95 44.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.235 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.673 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 1.4 t -88.96 106.11 18.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.594 HG11 ' CZ ' ' A' ' 112' ' ' PHE . 1.3 t -76.63 60.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.673 ' NE ' ' O ' ' A' ' 68' ' ' THR . 2.3 mtm180 -42.55 132.51 3.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.539 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 7.1 tmm_? -100.09 -75.86 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.464 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -83.32 122.86 29.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 88' ' ' CYS . 8.6 p90 -169.76 -168.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 2.7 pm0 -108.7 123.83 49.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' GLY . . . -125.54 149.96 17.29 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.676 ' CZ ' ' CB ' ' A' ' 47' ' ' CYS . 35.9 p90 -107.31 131.83 53.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.733 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 1.2 mt -52.05 -41.16 62.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.733 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.8 OUTLIER 93.37 14.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -142.76 -42.74 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -110.85 -67.64 0.55 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.445 1.091 . . . . 0.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.568 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.5 OUTLIER 178.27 -172.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 110.423 -179.975 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.568 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.0 OUTLIER -38.38 159.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.188 -179.905 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.563 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -168.66 -41.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 108.003 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -92.81 64.37 2.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.637 ' O ' ' CG2' ' A' ' 85' ' ' THR . 1.3 t -103.3 51.09 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 0.787 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.556 ' CG1' ' N ' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -178.24 -156.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.248 179.938 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.556 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.6 OUTLIER -54.42 101.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 20.9 p -57.09 -27.89 62.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 108.389 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 112' ' ' PHE . 4.0 t -51.35 -21.45 2.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.374 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -83.11 -17.37 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 179.958 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.507 ' O ' ' O ' ' A' ' 92' ' ' ALA . . . -121.69 28.67 7.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.507 ' O ' ' O ' ' A' ' 91' ' ' ALA . . . 44.49 100.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.67 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -93.2 162.8 13.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 8.4 pt20 -152.61 150.17 29.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.422 ' O ' ' HB ' ' A' ' 108' ' ' VAL . 66.1 t -128.1 111.28 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -127.91 172.03 19.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.578 HD22 ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -79.81 137.34 36.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.35 -179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.443 ' OG ' ' O ' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -129.04 128.8 44.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.906 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -95.43 173.38 7.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.222 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.65 33.83 0.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -157.85 -41.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -82.68 -60.67 2.05 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.489 ' O ' ' O ' ' A' ' 102' ' ' GLY . 18.0 t30 34.59 -154.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.724 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 76.05 -146.91 34.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.77 17.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.591 1.837 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 97' ' ' LEU . 17.1 tp10 -117.89 -71.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.478 ' O ' ' HB ' ' A' ' 108' ' ' VAL . . . 138.74 -148.45 19.97 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 5' ' ' ALA . 17.6 t 77.7 70.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.34 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.48 107.87 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.605 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 3.8 mt -108.04 148.84 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.61 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -97.48 102.19 13.89 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.67 ' CD1' ' SG ' ' A' ' 93' ' ' CYS . 3.4 m-85 -91.79 130.87 37.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.18 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.9 t30 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.973 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.51 ' N ' ' CD ' ' A' ' 3' ' ' PRO . . . 162.99 -51.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.582 ' O ' ' CB ' ' A' ' 4' ' ' THR . 18.2 Cg_endo -75.0 6.49 3.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.617 HG23 ' HE2' ' A' ' 106' ' ' GLU . 0.1 OUTLIER 160.48 178.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.936 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.552 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . -105.37 173.25 6.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.508 ' HA ' ' CG2' ' A' ' 108' ' ' VAL . 19.9 p -153.0 156.4 38.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.439 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.617 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 2.6 t -93.25 135.04 29.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.529 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.54 -58.35 1.03 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.53 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.0 -168.46 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.11 19.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.05 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.548 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 51.9 p -177.57 64.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 110.041 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.496 ' HA3' ' CG2' ' A' ' 17' ' ' THR . . . -49.8 -28.49 11.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.548 ' CD1' ' O ' ' A' ' 11' ' ' SER . 0.6 OUTLIER 46.63 20.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 0.8 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.488 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -139.92 114.64 9.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.495 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 10.0 p-10 -60.55 95.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.549 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 108.49 31.22 3.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.436 1.085 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.524 HG22 ' HB ' ' A' ' 69' ' ' VAL . 0.5 OUTLIER -74.86 98.11 3.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 0.743 . . . . 0.0 110.457 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 7.4 t -83.25 113.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.617 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 3.7 m -136.36 174.24 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 153.16 44.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 6' ' ' THR . 22.8 t -150.08 146.53 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.21 158.31 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.655 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 96.98 -176.3 31.79 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.655 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 150.24 -156.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.4 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -66.52 -0.64 8.53 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.502 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.7 tp 46.36 72.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 10.4 tp60 -82.02 -98.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 162.25 51.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.79 72.74 1.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.492 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 3.7 t -156.43 163.42 39.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 110.349 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.26 153.94 39.61 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.437 ' HB3' ' CD1' ' A' ' 97' ' ' LEU . 5.1 m-85 -148.73 78.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.1 119.81 7.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.08 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.57 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 34.6 t -56.59 160.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.429 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -148.88 156.38 26.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.506 ' HG2' ' CG1' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -149.06 120.66 8.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.493 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 9.5 m -130.0 172.9 11.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 108.273 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.09 154.85 47.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.52 137.61 37.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.051 179.933 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.491 ' CG1' HG11 ' A' ' 44' ' ' VAL . 85.4 t -109.49 -105.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.413 ' O ' ' HB ' ' A' ' 42' ' ' THR . 0.9 OUTLIER -166.01 129.1 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.553 ' O ' ' CG2' ' A' ' 44' ' ' VAL . 1.1 m 66.56 91.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 42' ' ' THR . . . 30.92 43.54 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.553 ' CG2' ' O ' ' A' ' 42' ' ' THR . 55.6 t -127.17 133.15 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 77' ' ' LEU . 3.9 tp -134.27 126.86 30.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -86.27 93.29 9.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.493 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.0 OUTLIER -79.79 147.86 31.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 -179.967 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.725 ' CG ' ' CD2' ' A' ' 73' ' ' PHE . 20.9 t-20 -113.39 95.14 34.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HD3' ' CD2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -75.04 34.84 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.445 1.761 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.576 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -124.54 0.08 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.7 OUTLIER -39.59 -42.26 1.15 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.96 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 21.4 m-85 62.78 -59.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 111.057 -179.923 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.3 m -31.7 146.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.409 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 66.2 p -158.33 139.02 12.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.546 ' CG2' ' CG2' ' A' ' 65' ' ' THR . 1.3 p -139.68 -157.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.226 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.464 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 1.0 OUTLIER -147.49 160.84 42.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.945 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 61' ' ' GLY . . . -69.45 -179.64 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.708 ' O ' ' N ' ' A' ' 60' ' ' ASN . 53.1 p30 -137.24 132.89 34.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.189 . . . . 0.0 109.237 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.696 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -8.76 77.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.938 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.708 ' N ' ' O ' ' A' ' 58' ' ' ASP . 10.0 t30 151.99 -35.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.356 -179.955 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.502 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 118.07 -8.06 14.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.501 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -77.2 137.59 38.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 0.0 110.045 179.92 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -83.13 159.2 22.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.452 ' O ' ' HB ' ' A' ' 65' ' ' THR . 90.5 p -160.2 107.97 1.65 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.949 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.546 ' CG2' ' CG2' ' A' ' 55' ' ' VAL . 6.9 t -179.8 167.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.374 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 66.8 p -90.81 116.14 28.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.058 179.922 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.485 HD12 ' CG1' ' A' ' 34' ' ' VAL . 5.9 mt -101.1 159.82 14.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.53 ' CG2' ' CZ ' ' A' ' 70' ' ' ARG . 1.9 t -101.11 92.34 4.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.435 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.58 ' CG1' ' CZ ' ' A' ' 112' ' ' PHE . 3.0 t -68.96 67.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.614 ' HD2' ' CE1' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -65.52 141.72 58.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.645 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 9.3 tmm_? -92.26 -68.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.42 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 22.8 t -63.69 103.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.96 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.725 ' CD2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -139.02 161.46 37.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.959 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.503 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -104.96 76.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.57 147.56 37.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.591 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 22.5 p90 -116.07 130.01 56.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 0.762 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.599 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 4.3 mp -40.08 -66.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.616 1.198 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER 159.58 -28.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.956 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 3.8 t0 174.6 54.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.87 -45.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.436 1.085 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.5 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -162.87 168.5 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.399 -179.952 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.5 ' N ' ' CG2' ' A' ' 81' ' ' THR . 16.7 ttm105 -130.74 119.45 22.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.554 ' CE3' HG21 ' A' ' 86' ' ' VAL . 37.4 m95 -48.33 -87.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.524 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 99.87 132.48 7.74 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.524 ' C ' ' O ' ' A' ' 84' ' ' GLY . 3.1 t 28.74 44.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 0.755 . . . . 0.0 110.42 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.554 HG21 ' CE3' ' A' ' 83' ' ' TRP . 8.9 p -89.78 140.41 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.433 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -73.47 101.87 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.765 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -52.49 -24.94 8.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 108.291 -179.969 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.8 t -69.89 -20.4 63.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -84.9 -27.03 26.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -119.94 18.63 12.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 34.64 61.95 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.563 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 1.9 p -52.08 -176.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.529 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 4.0 pm0 -143.95 159.72 42.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.243 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.506 ' CG1' ' HG2' ' A' ' 36' ' ' GLN . 2.5 t -130.0 119.2 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -136.62 175.22 21.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.917 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -86.55 156.24 20.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 0.732 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.48 ' OG ' ' CB ' ' A' ' 103' ' ' ASN . 0.4 OUTLIER -138.92 123.01 17.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 179.992 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -115.27 -179.06 3.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 180.0 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.32 18.86 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.73 51.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -177.75 -34.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.48 ' CB ' ' OG ' ' A' ' 98' ' ' SER . 2.8 p30 -42.01 166.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 131.96 -158.87 23.07 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.06 111.28 3.29 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.617 ' HE2' HG23 ' A' ' 4' ' ' THR . 0.5 OUTLIER 173.31 40.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 179.973 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.416 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -86.3 172.33 45.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.529 ' N ' ' HB2' ' A' ' 94' ' ' GLN . 21.8 t -97.34 110.5 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 0.725 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.77 107.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 11' ' ' SER . 7.1 mt -113.88 155.08 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.485 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 1.8 m -92.54 100.9 13.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.765 ' CD1' ' SG ' ' A' ' 88' ' ' CYS . 4.8 m-85 -88.27 18.26 4.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 54.2 t30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 179.989 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 1' ' ' ALA . . . 57.65 157.65 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 109.344 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.712 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.4 Cg_endo -75.0 -99.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.401 1.737 . . . . 0.0 111.086 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.712 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 168.65 167.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.449 1.093 . . . . 0.0 110.428 179.91 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.413 ' N ' ' HA ' ' A' ' 24' ' ' ALA . . . -91.63 174.06 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.913 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.506 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 69.9 p -149.37 152.13 35.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 110.358 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.571 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 4.8 t -111.58 110.01 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.677 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -24.02 -65.84 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.989 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.677 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.1 Cg_endo -75.0 -89.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.549 1.815 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 4.4 t 85.86 21.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 110.085 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.473 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 51.4 p -173.2 147.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 110.011 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.03 35.38 87.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.438 1.086 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.503 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 29.2 mt -92.59 -142.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 0.794 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.48 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.3 OUTLIER -159.54 170.47 21.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.014 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.506 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 12.3 t70 -60.68 107.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.492 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 78.27 37.35 28.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.928 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.503 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 8.2 m -76.88 90.52 3.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.569 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.4 t -66.71 84.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.407 1.067 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 66' ' ' SER . 1.3 m -94.4 166.33 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 65' ' ' THR . 7.6 mtpt -67.6 141.11 56.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 6' ' ' THR . 98.2 t -139.6 139.83 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.9 157.15 47.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.738 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 90.0 -166.66 32.58 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.564 1.165 . . . . 0.0 111.089 -179.932 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.738 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 141.97 -142.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 0.726 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.427 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -70.49 0.31 26.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.483 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER 42.82 65.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 18.7 tp60 -75.4 -99.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 162.11 54.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.99 71.95 1.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -157.93 163.02 38.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 110.364 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.26 152.71 36.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.416 ' HB3' ' CD2' ' A' ' 97' ' ' LEU . 2.1 m-85 -148.37 78.93 1.44 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.545 1.153 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -55.12 128.74 35.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.541 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 21.2 t -70.46 149.31 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -129.69 146.75 17.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.103 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 2.9 tp60 -134.6 112.6 10.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.77 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.572 ' C ' ' CE1' ' A' ' 73' ' ' PHE . 28.3 m -129.56 -175.36 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 108.315 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.628 ' CB ' ' CE2' ' A' ' 73' ' ' PHE . . . -153.03 124.49 7.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.485 ' CE3' ' O ' ' A' ' 39' ' ' TRP . 10.7 t90 -101.42 108.91 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.958 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.442 ' O ' ' O ' ' A' ' 41' ' ' ASP . 46.3 t -88.93 -115.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 40' ' ' VAL . 0.8 OUTLIER -56.31 -160.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.1 m -68.27 -51.18 47.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.34 39.95 2.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.495 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 46.9 t -126.79 52.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.737 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 1.3 tt -101.25 113.16 25.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.417 ' HB3' ' N ' ' A' ' 76' ' ' PHE . . . -102.5 157.32 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.482 ' O ' ' CA ' ' A' ' 75' ' ' GLY . 0.8 OUTLIER -118.12 152.06 36.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 108.259 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 15.0 t-20 -109.8 97.12 27.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.94 39.85 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.461 1.769 . . . . 0.0 111.064 179.943 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.575 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -133.71 5.0 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.57 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -40.35 -45.9 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 23.0 m-85 62.77 -59.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.055 -179.938 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.57 ' N ' ' O ' ' A' ' 51' ' ' ASP . 1.7 m -32.98 148.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.44 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 54.8 p -159.09 142.86 15.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.577 ' CG2' ' CG2' ' A' ' 65' ' ' THR . 1.2 p -142.18 -158.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.452 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 1.5 m -144.66 166.81 24.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.447 ' N ' ' CG2' ' A' ' 56' ' ' THR . . . -80.07 -177.77 6.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.689 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.8 p30 -137.51 135.63 36.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.689 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -11.76 80.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.689 ' N ' ' O ' ' A' ' 58' ' ' ASP . 8.3 t30 149.55 -34.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.483 ' O ' ' HA ' ' A' ' 26' ' ' LEU . . . 115.67 -6.37 20.44 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -78.25 131.0 36.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.921 -179.902 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -76.6 163.23 27.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.484 ' O ' ' HB ' ' A' ' 65' ' ' THR . 18.0 p -164.44 114.72 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.577 ' CG2' ' CG2' ' A' ' 55' ' ' VAL . 5.0 t 178.03 -132.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.533 ' N ' ' OG1' ' A' ' 65' ' ' THR . 2.6 m -146.22 136.84 24.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.569 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 22.3 mt -114.59 134.56 54.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.59 ' CG2' ' CZ ' ' A' ' 70' ' ' ARG . 1.2 t -74.46 98.27 3.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.677 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 72.5 t -69.22 68.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.239 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.59 ' CZ ' ' CG2' ' A' ' 68' ' ' THR . 1.3 mtm180 -61.42 119.88 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 73' ' ' PHE . 15.8 ttp180 -73.35 -64.21 1.03 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 92.7 p -57.91 79.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.033 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.628 ' CE2' ' CB ' ' A' ' 38' ' ' ALA . 10.3 t80 -52.6 160.11 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 73' ' ' PHE . 53.4 mt-10 -160.02 65.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -126.76 178.62 16.73 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.603 ' CE2' ' HA ' ' A' ' 78' ' ' PHE . 14.5 p90 -126.03 150.69 47.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.609 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 10.2 mt -36.73 -60.29 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.609 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER 155.02 -18.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.98 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -177.14 -33.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.91 -48.15 83.12 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.556 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -177.69 172.22 1.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 0.74 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.556 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.0 OUTLIER -111.18 144.36 40.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.524 ' CE2' ' HG ' ' A' ' 77' ' ' LEU . 34.9 m95 -92.75 -63.63 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.945 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.6 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 74.47 158.31 5.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.6 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER 19.52 79.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 0.801 . . . . 0.0 110.394 -179.971 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 t -116.19 99.42 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 88' ' ' CYS . 5.1 m-20 -47.56 109.38 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.627 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -53.87 -168.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.35 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.555 ' CG2' ' C ' ' A' ' 88' ' ' CYS . 0.7 OUTLIER 67.65 -4.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.959 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.468 ' H ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -108.93 -30.86 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -123.11 4.4 9.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 93' ' ' CYS . . . 49.76 60.59 3.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 3.8 m -43.93 164.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 108.325 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.465 ' HB2' ' C ' ' A' ' 107' ' ' GLY . 0.7 OUTLIER -126.53 150.84 48.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.17 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.456 HG11 ' CB ' ' A' ' 67' ' ' LEU . 90.9 t -135.79 98.0 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -118.43 -169.02 14.45 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.434 1.084 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.494 ' CD1' HD12 ' A' ' 67' ' ' LEU . 2.7 mp -115.11 156.49 25.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -165.87 155.0 11.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.052 179.955 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.421 ' CG ' ' HA3' ' A' ' 102' ' ' GLY . 0.0 OUTLIER -97.94 169.65 9.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.915 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.72 40.78 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.45 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.421 ' HA3' ' CG ' ' A' ' 99' ' ' ASP . . . -71.19 -57.04 6.43 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.494 1.122 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.12 -165.52 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -127.14 -76.07 0.22 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.562 1.163 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -167.71 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.454 1.766 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -165.66 -77.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.175 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.465 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . 146.21 -143.4 11.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.422 ' CB ' ' O ' ' A' ' 107' ' ' GLY . 2.9 t 80.62 77.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.32 107.85 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.38 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.502 ' CG2' HG11 ' A' ' 69' ' ' VAL . 2.4 mp -99.03 153.78 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.473 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -108.05 118.68 37.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.007 -179.98 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.677 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 14.1 m-85 -90.73 122.57 33.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 t30 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.947 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.667 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -152.76 50.89 0.66 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.1 Cg_endo -75.04 -5.58 16.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.531 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 54.6 m -101.13 -7.82 22.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.56 1.162 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.56 ' CB ' ' HA ' ' A' ' 24' ' ' ALA . . . -69.94 117.49 11.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -146.61 156.61 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.444 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.555 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.1 t -115.61 149.35 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.497 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -39.56 -56.79 2.74 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 179.965 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.555 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.95 -156.66 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.561 1.821 . . . . 0.0 110.969 -179.942 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 39.5 t -161.94 -23.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.563 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 1.4 p -169.66 168.11 9.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 64.35 31.43 80.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.528 ' CD2' ' HB2' ' A' ' 9' ' ' PRO . 5.7 mt -66.27 -142.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 0.74 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.2 t -166.23 158.16 13.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.957 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.452 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 37.5 t0 -53.04 90.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 94.87 44.05 3.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.513 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.9 OUTLIER -64.25 77.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.4 -179.954 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 12.2 t -71.73 91.56 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.462 HG23 ' CD ' ' A' ' 9' ' ' PRO . 3.7 m -118.82 -175.29 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 65' ' ' THR . 12.8 tttt -87.18 124.28 33.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.439 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 11.4 t -108.03 149.22 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.35 158.16 44.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.733 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 75.75 -158.39 49.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.733 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 140.73 -128.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LEU . . . -77.97 4.16 58.7 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.499 ' N ' ' OH ' ' A' ' 32' ' ' TYR . 3.0 tp 39.89 68.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.471 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 35.9 mt-30 -83.79 -110.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.413 ' N ' ' HA2' ' A' ' 61' ' ' GLY . . . 174.4 67.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.17 44.66 11.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.13 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.6 m -122.78 162.41 22.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 0.753 . . . . 0.0 110.374 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.98 156.18 28.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -142.63 73.68 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 -179.969 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.4 OUTLIER -59.98 114.32 2.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.865 ' HB ' ' HD2' ' A' ' 51' ' ' ASP . 94.3 t -48.81 155.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -135.03 -85.74 0.22 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.381 1.05 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.551 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER 72.66 108.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 110.297 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.562 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 27.0 m -123.54 -178.42 4.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 108.325 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -138.38 100.07 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -79.34 129.58 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 107.982 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.535 HG23 ' CE2' ' A' ' 83' ' ' TRP . 4.9 t -116.02 -36.63 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -167.99 -175.71 2.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.4 m -61.32 90.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.403 ' O ' HD23 ' A' ' 77' ' ' LEU . . . 98.91 -5.91 59.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.158 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.458 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 2.9 t -95.83 43.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.466 0.745 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.9 tt -109.16 116.82 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.57 ' HB1' ' CD1' ' A' ' 83' ' ' TRP . . . -103.16 117.18 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.562 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.0 OUTLIER -72.53 167.59 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.256 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.595 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 8.0 t-20 -119.86 70.39 14.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.549 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.6 Cg_endo -74.89 27.44 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.069 179.937 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -103.49 -17.66 15.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.865 ' HD2' ' HB ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -67.39 -62.7 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.57 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 1.3 t80 79.63 -27.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.592 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 66.8 m -33.84 155.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.933 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.486 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 28.2 p -160.04 147.81 16.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.906 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.622 HG12 ' N ' ' A' ' 56' ' ' THR . 1.6 p -145.15 -161.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.622 ' N ' HG12 ' A' ' 55' ' ' VAL . 1.8 m -138.27 159.67 41.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.567 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . . . -75.62 -171.47 1.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 60' ' ' ASN . 57.0 p30 -144.57 137.31 26.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.657 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -15.67 83.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.669 ' N ' ' O ' ' A' ' 58' ' ' ASP . 5.5 t30 148.6 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 26' ' ' LEU . . . 114.41 -6.95 22.83 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.502 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 6.6 t -80.08 138.15 36.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 109.934 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.52 ' CB ' HD12 ' A' ' 97' ' ' LEU . . . -83.89 169.79 14.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 65' ' ' THR . 21.6 m -168.22 111.13 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.978 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.504 ' OG1' ' N ' ' A' ' 66' ' ' SER . 9.0 t -177.84 -144.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 110.36 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.504 ' N ' ' OG1' ' A' ' 65' ' ' THR . 50.2 m -134.12 123.06 23.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.505 HD11 ' CG2' ' A' ' 34' ' ' VAL . 5.6 mp -116.07 157.63 24.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.42 93.84 7.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.644 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 12.0 t -72.37 66.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.378 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.563 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -55.43 142.51 32.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.228 -179.863 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.581 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 3.4 tmm_? -99.17 -68.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.356 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.456 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 45.4 t -96.44 123.07 39.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.982 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.595 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 5.8 p90 -160.72 -175.85 5.2 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.46 ' HB3' ' N ' ' A' ' 85' ' ' THR . 1.4 pm0 -118.72 88.13 2.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.27 179.43 51.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -138.56 139.89 38.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.59 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 7.1 mp -75.27 -47.67 26.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER 81.86 15.76 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 -179.956 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -172.45 33.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.29 -63.73 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.521 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -177.38 175.13 1.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 110.392 -179.975 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 26.0 ttt180 -90.17 134.88 34.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.57 ' CD1' ' HB1' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -56.89 -79.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.939 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 121.88 159.97 10.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.606 ' O ' ' CG2' ' A' ' 85' ' ' THR . 5.5 t -60.81 66.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.612 ' N ' ' O ' ' A' ' 84' ' ' GLY . 9.9 p -117.8 161.55 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.22 122.27 21.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -76.38 -28.4 56.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 108.255 -179.953 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 2.5 t -49.26 -21.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -21.26 46.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -122.56 16.14 10.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 35.76 78.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 -179.935 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 5.6 p -65.86 175.66 1.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 108.308 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 94' ' ' GLN . 0.8 OUTLIER -126.92 139.24 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 179.951 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.486 ' O ' ' CG1' ' A' ' 108' ' ' VAL . 1.1 p -121.51 121.49 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.66 171.02 37.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.52 HD12 ' CB ' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -97.45 157.64 15.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.764 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 33' ' ' ASP . 47.7 t -153.36 164.13 38.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -48.77 169.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.71 -14.45 21.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.466 ' CB ' ' OD1' ' A' ' 103' ' ' ASN . . . -102.02 -8.19 21.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.404 ' HA2' ' OG ' ' A' ' 98' ' ' SER . . . 72.54 36.79 58.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.466 ' OD1' ' CB ' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -84.2 150.96 25.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 75.2 68.35 1.56 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -74.89 132.86 16.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.419 1.747 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.4 mm-40 157.86 44.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 106' ' ' GLU . . . -47.05 -98.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.581 1.176 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 95' ' ' VAL . 10.6 p -168.27 109.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.45 100.4 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.439 HG23 ' CD1' ' A' ' 13' ' ' LEU . 6.3 mt -112.39 156.18 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.563 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 1.3 m -86.35 112.27 21.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.644 ' CE2' ' CG1' ' A' ' 69' ' ' VAL . 5.5 m-85 -90.28 129.87 36.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.2 t30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.988 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.483 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . . . -157.46 -179.6 1.14 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.64 ' O ' ' CB ' ' A' ' 4' ' ' THR . 18.1 Cg_endo -75.05 -156.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.582 1.832 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.64 ' CB ' ' O ' ' A' ' 3' ' ' PRO . 2.5 m 92.48 167.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.445 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -86.42 148.93 25.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.509 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 11.1 p -150.32 155.38 39.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.563 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 4.0 t -106.34 132.6 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.579 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.72 -60.53 0.75 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.579 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.5 Cg_endo -75.04 -159.44 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.549 1.815 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 p -158.55 25.19 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.959 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.55 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 69.9 p -170.61 56.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.058 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.683 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -46.6 -31.45 5.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.55 ' CD1' ' O ' ' A' ' 11' ' ' SER . 0.8 OUTLIER 52.87 -76.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.683 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -36.89 122.85 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.937 -179.897 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.515 ' HA ' ' HG2' ' A' ' 71' ' ' ARG . 7.1 p-10 -58.01 92.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.705 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 99.82 40.6 3.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.517 ' OG1' ' CB ' ' A' ' 14' ' ' SER . 96.3 m -66.12 87.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.425 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.542 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.3 t -67.74 78.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.555 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.6 OUTLIER -100.47 165.28 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.365 179.93 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.4 143.94 52.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 6' ' ' THR . 98.2 t -146.28 142.0 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -141.7 157.52 44.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.705 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 101.82 -172.4 22.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.705 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 145.01 -157.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.72 -2.84 3.81 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.554 1.159 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 1.1 tp 47.91 67.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.397 0.704 . . . . 0.0 109.237 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 47.8 tp60 -84.77 -98.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 161.82 79.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.908 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.36 69.9 1.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.449 1.093 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -153.47 153.49 32.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 0.767 . . . . 0.0 110.406 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.23 150.77 10.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.456 ' HB3' ' CD1' ' A' ' 97' ' ' LEU . 2.9 m-85 -150.58 79.85 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' SER . 8.3 t70 -60.79 119.63 8.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.44 1.088 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.565 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 71.2 t -56.29 159.21 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.405 ' HA2' ' CG ' ' A' ' 51' ' ' ASP . . . -143.48 148.25 19.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -139.09 111.88 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.513 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 21.9 m -123.8 -179.46 4.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 108.294 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.5 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -145.75 101.93 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -72.84 132.19 43.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.457 HG11 ' N ' ' A' ' 41' ' ' ASP . 56.5 t -124.49 -111.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.472 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -59.97 -178.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.5 m -71.5 88.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 179.985 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.91 -10.06 40.49 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG1' HD12 ' A' ' 77' ' ' LEU . 7.5 t -90.45 86.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 6.3 tt -113.83 115.16 27.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.24 -179.936 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.534 ' HB1' ' CD1' ' A' ' 83' ' ' TRP . . . -82.85 97.81 8.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.513 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -81.87 142.78 32.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 108.235 -179.993 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.64 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 5.1 t-20 -110.1 96.84 27.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -75.01 35.16 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.77 . . . . 0.0 111.056 179.92 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -127.58 2.06 6.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -36.54 -38.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 13.3 m-85 62.26 -61.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.1 m -33.36 145.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 110.005 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.457 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 14.6 p -161.89 139.5 8.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.554 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 2.2 p -144.17 -154.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.452 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 1.0 OUTLIER -144.51 161.6 38.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -71.34 -179.71 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.702 ' O ' ' C ' ' A' ' 59' ' ' ALA . 55.9 p-10 -137.01 134.65 36.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.702 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.12 82.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.619 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 6.7 t30 146.08 -35.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.481 ' HA3' ' N ' ' A' ' 27' ' ' GLN . . . 117.04 -3.98 18.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.478 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -76.78 127.42 32.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 109.969 -179.993 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -78.19 158.64 28.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 92.4 p -153.62 113.43 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.554 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.05 169.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.925 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.555 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 7.6 m -94.18 125.85 39.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.542 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 3.4 mt -106.77 139.56 41.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.542 ' CG2' ' CZ ' ' A' ' 70' ' ' ARG . 1.3 t -82.65 103.86 12.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.663 HG12 ' CZ ' ' A' ' 112' ' ' PHE . 3.0 t -70.12 64.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.705 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 11.3 mtm180 -65.21 127.44 31.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.552 ' CG ' ' H ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -84.78 -76.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.226 -179.926 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.552 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 46.1 t -55.58 99.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.64 ' CE2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -137.89 164.04 29.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.98 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.46 ' HB3' ' N ' ' A' ' 85' ' ' THR . 0.3 OUTLIER -121.31 70.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.419 ' HA3' ' CB ' ' A' ' 46' ' ' ALA . . . -58.9 168.95 5.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.497 ' O ' ' C ' ' A' ' 77' ' ' LEU . 5.9 m-85 -118.6 130.61 55.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 2.3 mm? -33.04 -62.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.583 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 0.2 OUTLIER 158.35 -23.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.968 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.39 -65.09 1.01 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.78 39.03 0.11 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.0 m -123.34 120.23 32.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 0.732 . . . . 0.0 110.459 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.55 112.39 19.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.534 ' CD1' ' HB1' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -48.65 -81.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 108.027 179.959 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 163.33 146.59 4.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.46 ' N ' ' HB3' ' A' ' 74' ' ' GLU . 4.8 m -69.42 69.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.8 p -115.87 170.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.452 ' HB3' ' CG2' ' A' ' 89' ' ' THR . 2.8 m-20 -60.81 89.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 71' ' ' ARG . 13.9 p -49.45 -24.88 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 -179.921 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 112' ' ' PHE . 10.0 t -52.27 -27.02 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.346 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.56 -25.73 65.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -111.53 30.66 6.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 38.11 56.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.228 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.66 ' SG ' ' CG ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -42.64 162.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 108.324 179.984 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.416 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -135.73 151.14 49.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.931 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.485 ' CG1' HG21 ' A' ' 7' ' ' VAL . 9.7 p -132.94 117.59 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.477 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -132.34 -155.88 8.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -112.26 150.79 30.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 0.708 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -135.23 153.02 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.976 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -87.84 177.41 7.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.95 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.94 7.54 7.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.48 -8.84 9.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 69.31 40.87 80.36 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.13 . . . . 0.0 111.048 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 102' ' ' GLY . 4.9 t30 -55.88 -164.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.737 . . . . 0.0 109.325 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.44 135.04 13.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.685 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.5 Cg_endo -75.0 -153.13 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.481 1.78 . . . . 0.0 111.017 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.685 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 7.7 tt0 103.89 150.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.477 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . -168.1 -82.13 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.942 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.492 ' CG1' ' HA ' ' A' ' 6' ' ' THR . 1.2 p 178.82 132.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 0.781 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.44 107.91 12.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.486 HD11 ' CG2' ' A' ' 7' ' ' VAL . 2.3 mp -107.58 159.45 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.449 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 0.8 OUTLIER -88.84 87.09 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.075 179.929 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.663 ' CZ ' HG12 ' A' ' 69' ' ' VAL . 23.3 m-85 -72.27 171.1 12.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.534 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 4.5 t30 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.45 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . 39.15 62.36 4.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.243 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.4 Cg_endo -74.96 137.33 21.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.49 1.784 . . . . 0.0 111.063 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.522 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 0.4 OUTLIER -105.87 -5.15 19.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 110.403 -179.941 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.556 ' CB ' ' HA ' ' A' ' 24' ' ' ALA . . . -78.47 135.9 37.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.428 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 66.6 p -153.56 152.99 31.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.549 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.2 t -106.17 122.26 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.757 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -29.38 -70.43 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.757 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.98 -89.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 1.4 p 89.99 36.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 110.01 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.493 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 26.3 t -164.72 144.4 7.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.6 35.9 17.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.076 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.541 HD13 ' CG2' ' A' ' 69' ' ' VAL . 11.8 mt -87.04 -93.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 109.23 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.52 ' OG ' ' N ' ' A' ' 15' ' ' ASP . 2.0 t 51.94 -178.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.52 ' N ' ' OG ' ' A' ' 14' ' ' SER . 11.4 t0 52.18 29.75 6.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.425 ' HA2' ' N ' ' A' ' 70' ' ' ARG . . . 57.62 47.24 89.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.4 1.062 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.507 ' O ' ' CG2' ' A' ' 17' ' ' THR . 0.7 OUTLIER -61.96 93.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 110.385 -180.0 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.582 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 1.8 t -70.73 88.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.464 HG11 ' CG2' ' A' ' 17' ' ' THR . 0.8 OUTLIER -100.9 166.52 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.232 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -66.46 115.87 6.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.911 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.458 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 73.4 t -115.6 139.53 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.237 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' N ' HG11 ' A' ' 21' ' ' VAL . . . -135.01 164.77 26.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.68 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 85.22 -168.37 42.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.935 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.68 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 148.72 -133.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 0.0 109.349 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.43 2.13 58.77 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.118 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 1.9 tp 43.6 56.44 4.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.763 . . . . 0.0 109.233 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.469 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 7.3 mm-40 -85.25 -99.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 173.69 96.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.588 1.18 . . . . 0.0 109.23 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 43.27 40.05 4.4 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.7 m -111.3 153.95 25.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.37 145.95 13.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.454 ' OH ' ' CG ' ' A' ' 27' ' ' GLN . 3.5 m-85 -151.69 81.03 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 53' ' ' SER . 1.2 t70 -59.16 132.45 54.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.223 -179.944 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.598 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 20.8 t -65.15 151.94 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -131.86 -162.4 10.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.7 OUTLIER 162.24 112.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.469 0.747 . . . . 0.0 110.308 179.969 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 32.7 m -130.3 178.24 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 108.313 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.524 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -145.76 124.73 12.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.523 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -96.75 127.15 42.46 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.946 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.495 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 32.8 t -113.96 -27.88 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.43 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 0.7 OUTLIER 175.94 173.53 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.9 m -55.35 92.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.98 -12.64 45.33 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.495 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 2.2 t -95.83 39.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.246 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.516 ' CD1' ' O ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -96.52 98.41 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.95 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -87.61 111.54 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.425 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -84.93 162.31 19.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 108.238 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 35.2 t30 -115.53 86.97 16.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.188 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 41.57 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.531 1.806 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.72 5.58 2.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.498 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -38.37 -47.91 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 66.46 -59.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.97 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.598 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.2 m -37.1 156.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.945 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.528 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 59.9 p -167.25 145.89 4.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.925 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.538 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 2.2 p -151.3 -158.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.455 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 3.2 m -139.81 171.17 14.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -90.39 174.48 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.597 1.186 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.8 p30 -128.7 120.59 26.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.543 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.62 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.5 m-20 -34.73 -46.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.372 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.512 ' O ' ' HB2' ' A' ' 57' ' ' ALA . . . 125.06 6.96 6.15 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -86.23 135.63 33.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 0.802 . . . . 0.0 109.995 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -74.7 165.92 24.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.5 m -159.5 108.98 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.538 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.84 169.43 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.404 -179.992 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.454 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 4.4 m -86.92 124.86 33.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.582 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 10.3 mp -113.25 131.45 55.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.558 HG22 ' CZ ' ' A' ' 70' ' ' ARG . 3.9 t -77.73 97.69 5.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.426 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.596 HG12 ' CZ ' ' A' ' 112' ' ' PHE . 3.8 t -67.2 67.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.558 ' CZ ' HG22 ' A' ' 68' ' ' THR . 0.0 OUTLIER -58.0 132.75 54.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.942 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 29.9 ttp180 -91.76 -77.76 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.511 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 5.2 t -90.7 132.56 35.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 110.016 179.932 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 85' ' ' THR . 3.7 p90 -174.59 -163.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.689 ' HA ' ' CA ' ' A' ' 84' ' ' GLY . 2.4 mt-10 -99.38 141.52 32.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' O ' ' A' ' 83' ' ' TRP . . . -152.97 -178.68 27.83 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 179.956 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.617 ' CZ ' ' CB ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -153.92 142.65 20.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 111.035 179.931 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.53 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 7.0 mp -67.89 -47.8 67.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.3 t80 77.2 14.39 1.92 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 -179.907 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -173.61 33.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -169.34 -62.04 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.536 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -173.48 179.1 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 0.819 . . . . 0.0 110.417 -179.975 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.617 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -77.8 161.01 27.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.926 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.499 ' O ' ' O ' ' A' ' 75' ' ' GLY . 6.4 t-105 -152.01 -172.81 4.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.689 ' CA ' ' HA ' ' A' ' 74' ' ' GLU . . . 119.25 -167.65 13.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.55 ' O ' ' CG2' ' A' ' 85' ' ' THR . 1.1 t 39.51 39.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 0.0 110.388 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.494 HG12 ' NE1' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -142.43 154.07 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.511 ' HA ' ' CB ' ' A' ' 72' ' ' SER . 24.2 p-10 -80.06 96.1 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 1.4 p -40.43 -31.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 108.293 -179.936 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.497 ' CG2' ' HB2' ' A' ' 87' ' ' ASP . 15.3 t -44.43 -25.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.512 1.132 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -67.82 -26.54 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.578 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -129.83 31.16 4.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.578 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 25.62 84.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.352 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.669 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 2.7 p -64.08 -172.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 108.297 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 4.7 pm0 -147.89 154.9 41.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.439 HG22 ' NE2' ' A' ' 36' ' ' GLN . 86.0 t -123.58 110.6 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.165 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 106' ' ' GLU . . . -128.28 167.9 20.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.458 1.099 . . . . 0.0 111.041 179.936 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.488 ' HB2' ' CB ' ' A' ' 24' ' ' ALA . 4.3 mm? -91.66 154.94 18.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.11 137.18 42.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -104.06 175.14 5.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.02 36.2 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -165.44 -41.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.961 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -80.56 -55.68 3.35 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.439 1.087 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.491 ' O ' ' O ' ' A' ' 102' ' ' GLY . 22.7 t30 36.75 -158.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 109.371 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 78.56 -175.69 54.73 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 148.81 36.21 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.558 1.82 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.475 ' CG ' ' HA3' ' A' ' 96' ' ' GLY . 44.7 mp0 -99.5 -78.6 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 134.91 43.4 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.541 1.151 . . . . 0.0 111.093 -179.931 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 94' ' ' GLN . 95.6 t -105.75 72.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.0 110.36 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.502 HG23 ' CD1' ' A' ' 13' ' ' LEU . 22.0 mt -110.58 150.96 12.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.493 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -89.18 104.79 17.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.071 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.669 ' CZ ' ' SG ' ' A' ' 93' ' ' CYS . 30.0 m-85 -95.19 126.93 40.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.072 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 32.8 t30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.995 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.56 65.87 8.74 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.977 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.508 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.2 Cg_endo -75.08 104.91 1.98 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER 179.97 147.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.464 -179.985 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.468 ' HB2' ' CD2' ' A' ' 97' ' ' LEU . . . -92.16 166.13 12.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.506 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 35.6 p -145.46 148.68 33.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.552 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.0 t -116.13 116.62 52.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.681 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -31.68 -65.88 0.2 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.982 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.681 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.01 -88.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.522 ' HB2' ' CG1' ' A' ' 110' ' ' ILE . 3.4 t 69.76 43.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.57 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 53.8 p -167.93 120.62 0.88 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.41 45.76 95.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.57 ' CD2' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -150.81 -110.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.776 ' CB ' ' CD1' ' A' ' 112' ' ' PHE . 0.6 OUTLIER 42.45 -143.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.99 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.524 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 28.3 t0 52.07 49.68 20.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.17 18.91 65.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.452 ' HB ' ' CA ' ' A' ' 14' ' ' SER . 2.4 m -86.35 111.2 20.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.613 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.4 t -85.01 95.78 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.44 HG11 ' CG ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -106.28 166.79 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.939 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -66.21 124.59 23.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.525 ' CG2' HG21 ' A' ' 7' ' ' VAL . 2.4 t -124.39 126.35 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.397 1.061 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.04 152.58 42.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.721 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 106.49 -171.53 17.49 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.097 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.721 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 141.99 -154.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 0.805 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.414 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -62.87 -3.62 6.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.579 1.174 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 35.5 tp 45.72 67.59 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 0.792 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 2.0 tp-100 -84.51 -105.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 164.55 69.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.63 67.11 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.075 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 m -155.36 164.98 38.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.376 -179.904 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.08 153.55 40.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 3.8 m-85 -147.21 78.43 1.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -48.42 127.62 13.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.888 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.541 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 70.4 t -70.26 149.42 10.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.494 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -126.71 -172.66 13.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.534 1.146 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.559 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 176.22 107.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.297 -179.964 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.543 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 13.0 m -120.33 174.43 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.611 ' CB ' ' SG ' ' A' ' 93' ' ' CYS . . . -118.91 124.38 46.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.449 ' N ' HE22 ' A' ' 94' ' ' GLN . 0.4 OUTLIER -93.25 101.88 14.15 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.98 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.525 HG13 ' CH2' ' A' ' 83' ' ' TRP . 59.3 t -87.25 -111.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.419 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 0.6 OUTLIER -92.07 33.94 1.04 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.66 -56.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.78 -15.61 58.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.407 1.067 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 6.2 t -124.24 120.51 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -130.5 106.33 8.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.554 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -85.13 98.19 10.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.543 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -76.34 152.96 36.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 179.942 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.681 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 45.9 t30 -113.66 91.67 21.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.527 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 18.0 Cg_endo -74.99 35.26 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -134.03 5.46 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -42.26 -45.64 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.485 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.2 OUTLIER 64.09 -56.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 51' ' ' ASP . 3.6 m -32.53 148.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.2 p -144.14 142.93 30.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.063 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.516 ' CG2' ' HB ' ' A' ' 65' ' ' THR . 0.8 OUTLIER -135.81 177.97 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.8 m -138.74 153.81 48.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.452 ' CB ' ' HA2' ' A' ' 61' ' ' GLY . . . -70.48 171.72 9.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.709 ' O ' ' C ' ' A' ' 59' ' ' ALA . 49.9 p30 -132.22 129.84 40.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.604 1.19 . . . . 0.0 109.23 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.709 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -4.61 73.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.708 ' N ' ' O ' ' A' ' 58' ' ' ASP . 13.1 t30 156.34 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.474 ' HA3' ' C ' ' A' ' 27' ' ' GLN . . . 124.81 -10.75 7.92 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.492 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 48.2 t -75.93 132.81 40.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -81.1 164.74 22.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.358 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.45 ' O ' ' HB ' ' A' ' 65' ' ' THR . 20.3 p -167.99 111.53 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 -179.952 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.516 ' HB ' ' CG2' ' A' ' 55' ' ' VAL . 0.6 OUTLIER 177.49 172.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.997 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 77.5 p -85.0 124.07 31.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.613 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 21.3 mt -119.0 139.7 51.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.501 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -85.36 113.2 21.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.378 -179.979 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.539 HG11 ' CE1' ' A' ' 112' ' ' PHE . 2.0 t -87.51 61.72 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.54 ' HG2' ' OE1' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -48.4 127.05 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.24 -179.956 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.624 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 1.3 ttm180 -87.25 -76.24 0.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.4 t -74.15 107.06 6.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.056 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.681 ' CE2' ' HB2' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -151.37 -164.72 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.592 ' N ' ' CD2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -124.73 119.83 30.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.422 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -123.65 149.52 16.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.618 ' CD1' ' O ' ' A' ' 76' ' ' PHE . 13.7 p90 -102.54 130.75 49.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 0.811 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.634 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 7.5 mp -43.0 -65.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER 153.22 -22.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 -179.913 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.22 -68.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -169.32 31.11 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.405 HG21 ' CD1' ' A' ' 77' ' ' LEU . 37.2 m -133.96 172.09 13.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.485 0.756 . . . . 0.0 110.449 179.949 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -164.5 148.26 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 -179.898 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.554 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 39.7 m95 -73.2 -62.27 1.53 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 -180.0 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.538 ' HA2' ' CB ' ' A' ' 74' ' ' GLU . . . 82.18 139.31 3.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.543 ' O ' ' CG2' ' A' ' 85' ' ' THR . 1.4 t 29.91 41.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 84' ' ' GLY . 2.4 p -97.84 146.63 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 179.965 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' A' ' 90' ' ' THR . 2.6 p30 -79.24 114.64 18.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.942 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 5.1 m -65.03 -37.45 87.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.332 179.967 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.408 ' HB ' ' HB2' ' A' ' 112' ' ' PHE . 4.7 t -48.89 -25.76 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -78.72 -20.08 50.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.393 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.593 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -133.48 26.67 4.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.593 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 23.81 77.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.611 ' SG ' ' CB ' ' A' ' 38' ' ' ALA . 58.5 m -58.56 174.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 179.984 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 4.9 pm0 -135.02 157.36 47.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.447 HG21 ' CG ' ' A' ' 36' ' ' GLN . 7.3 p -131.13 107.95 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -122.22 165.5 15.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.436 1.085 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.47 HD13 ' CG1' ' A' ' 55' ' ' VAL . 1.3 mm? -88.57 151.16 22.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.4 t -146.78 123.93 11.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.574 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -100.96 173.23 6.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 -179.994 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.11 36.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.59 -39.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.951 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.559 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -79.17 -54.63 4.01 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.498 1.123 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.559 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.3 p30 37.23 -163.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 126.44 -149.76 17.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -169.89 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.562 1.822 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 94' ' ' GLN . 2.3 mp0 -71.13 -141.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -131.53 -56.85 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.486 ' CG1' ' HA ' ' A' ' 6' ' ' THR . 5.9 p -169.51 150.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.445 ' N ' HG21 ' A' ' 108' ' ' VAL . . . -89.08 116.96 27.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.629 ' O ' ' CE1' ' A' ' 112' ' ' PHE . 1.5 mp -96.83 139.89 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.235 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -80.53 106.31 12.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.95 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.776 ' CD1' ' CB ' ' A' ' 14' ' ' SER . 0.8 OUTLIER -83.11 25.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 111.052 179.99 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.976 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.553 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.553 ' CB ' ' O ' ' A' ' 1' ' ' ALA . . . 87.21 132.05 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.607 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.03 159.38 41.31 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.511 1.795 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.607 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER 176.84 163.73 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.397 179.991 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.43 ' CB ' HD22 ' A' ' 97' ' ' LEU . . . -98.35 158.15 15.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.9 p -140.23 154.53 46.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.585 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 3.9 t -116.45 136.11 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.552 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.69 -59.32 0.75 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.411 179.973 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.585 ' HD2' ' CG1' ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.09 -177.9 3.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.451 1.764 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.8 p -140.52 -21.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.948 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.534 ' HA ' ' O ' ' A' ' 111' ' ' SER . 82.5 p -176.24 174.21 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 70.73 25.2 76.12 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.061 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 112' ' ' PHE . 4.7 mt -84.6 -150.01 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.6 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 2.0 t -152.64 140.85 20.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.505 ' HB2' ' CG ' ' A' ' 71' ' ' ARG . 62.6 t0 -42.47 117.51 1.03 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.412 ' HA2' ' OG1' ' A' ' 68' ' ' THR . . . 85.56 31.65 21.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.584 ' HB ' ' CZ ' ' A' ' 112' ' ' PHE . 1.0 OUTLIER -77.16 96.08 4.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 110.328 -179.917 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.4 t -87.22 86.49 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.524 HG21 ' CG ' ' A' ' 9' ' ' PRO . 2.9 m -110.67 162.41 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -53.76 138.61 35.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 -179.958 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.491 HG22 ' CG2' ' A' ' 7' ' ' VAL . 46.2 t -141.65 121.37 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.98 150.32 42.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.964 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.563 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 109.31 173.57 21.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 179.956 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.563 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 158.36 -155.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -65.11 -1.65 7.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.627 ' N ' ' HH ' ' A' ' 32' ' ' TYR . 12.6 tp 52.47 67.03 1.05 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.421 0.718 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.519 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 9.2 mm-40 -92.3 -101.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 178.4 96.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 37.8 39.92 0.68 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -109.43 157.62 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.378 -179.95 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.35 147.1 8.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.627 ' HH ' ' N ' ' A' ' 26' ' ' LEU . 2.0 m-85 -151.32 82.07 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 98' ' ' SER . 1.8 t70 -59.16 127.87 34.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.546 ' CG2' ' HB3' ' A' ' 53' ' ' SER . 64.5 t -58.83 159.09 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.58 147.03 16.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.582 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -138.93 119.29 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.468 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 22.2 m -129.56 -178.18 4.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 108.319 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.478 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -147.77 123.98 10.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.508 ' C ' ' CD1' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -98.33 133.2 43.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 107.969 -179.996 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 41' ' ' ASP . 58.8 t -123.65 -111.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.473 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -62.4 179.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.578 1.174 . . . . 0.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.8 m -68.74 90.96 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.74 -5.88 51.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.554 1.158 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 25.1 t -91.75 70.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.761 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.518 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 2.7 tt -117.03 112.79 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.411 ' HB3' ' C ' ' A' ' 75' ' ' GLY . . . -92.01 133.07 36.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.468 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -96.94 154.74 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 108.288 179.988 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.668 ' CG ' ' CD2' ' A' ' 73' ' ' PHE . 1.9 t-20 -114.85 89.73 20.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 18.2 Cg_endo -75.09 42.07 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.56 1.821 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.32 2.55 3.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -40.63 -50.99 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.981 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 74.65 -58.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.996 -179.941 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.546 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 2.4 m -36.35 152.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.968 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.465 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 10.7 p -159.45 144.13 15.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 109.962 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.592 ' CG2' ' CG2' ' A' ' 65' ' ' THR . 2.1 p -147.05 -156.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' A' ' 57' ' ' ALA . 3.2 m -139.75 170.22 16.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 61' ' ' GLY . . . -91.74 177.79 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.653 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.0 p30 -131.03 119.6 22.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.536 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.89 -88.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.923 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.653 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.1 m-20 -34.91 -46.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.516 ' O ' ' HB2' ' A' ' 57' ' ' ALA . . . 125.63 5.88 6.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 5.0 m -88.55 139.84 30.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.24 166.36 18.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' A' ' 65' ' ' THR . 9.0 p -165.24 99.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.592 ' CG2' ' CG2' ' A' ' 55' ' ' VAL . 12.2 t -177.39 165.27 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.49 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 13.1 m -84.23 109.08 17.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.536 ' CD2' HG21 ' A' ' 34' ' ' VAL . 17.1 mt -104.98 152.07 23.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.52 HG21 ' NH2' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -96.66 114.49 26.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.347 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.802 ' O ' ' CZ ' ' A' ' 112' ' ' PHE . 1.1 t -86.78 57.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.59 ' HD2' ' CZ ' ' A' ' 73' ' ' PHE . 3.1 mtm180 -43.35 129.29 4.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.592 ' CG ' ' H ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -79.37 -75.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -180.0 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.592 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -58.56 100.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.984 -179.986 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.668 ' CD2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -137.86 152.3 48.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 179.992 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -87.31 98.3 11.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 179.958 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.411 ' C ' ' HB3' ' A' ' 46' ' ' ALA . . . -69.47 121.68 11.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.547 1.155 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.573 ' CD1' ' HD2' ' A' ' 49' ' ' PRO . 92.2 m-85 -102.71 123.51 46.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 110.998 -179.94 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.694 ' HA ' ' O ' ' A' ' 81' ' ' THR . 1.2 mt -25.5 -75.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.9 t80 67.55 4.19 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.3 t0 177.74 -35.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.945 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.73 57.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.694 ' O ' ' HA ' ' A' ' 77' ' ' LEU . 38.4 m -148.44 98.98 2.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 0.743 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' N ' HD22 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -91.03 97.52 11.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 -179.971 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.612 ' CZ3' ' CG2' ' A' ' 86' ' ' VAL . 0.0 OUTLIER -99.0 -89.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.989 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 81.68 111.36 0.38 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.577 ' O ' ' CG2' ' A' ' 85' ' ' THR . 0.7 OUTLIER 31.61 86.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.412 -179.947 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.612 ' CG2' ' CZ3' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -139.5 169.26 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.03 119.58 30.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.589 ' HB3' ' HA ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -59.79 -46.39 89.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 108.263 -179.992 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 t -49.9 -23.02 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.437 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.06 -22.27 24.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.085 . . . . 0.0 110.383 -179.952 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -119.04 17.17 13.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.173 . . . . 0.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 36.9 50.45 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -50.77 -178.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 108.269 -179.961 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.455 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 13.4 pm0 -147.39 160.78 42.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 179.982 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.481 HG13 ' CG1' ' A' ' 69' ' ' VAL . 10.4 p -133.82 101.19 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.467 ' CA ' ' HA3' ' A' ' 107' ' ' GLY . . . -111.32 -164.75 18.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.477 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -105.67 153.95 21.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -139.29 153.74 47.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.98 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.35 171.1 9.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.361 179.908 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.51 -16.54 10.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.42 -5.79 55.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.82 19.42 78.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -93.35 -170.91 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 109.246 -179.931 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.97 65.29 3.64 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -167.25 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 69.31 165.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.467 ' HA3' ' CA ' ' A' ' 96' ' ' GLY . . . -178.83 -75.37 0.06 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.495 ' CG1' HG22 ' A' ' 7' ' ' VAL . 13.3 p -170.78 128.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 0.773 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -83.01 120.49 25.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.488 HG22 ' CD1' ' A' ' 13' ' ' LEU . 16.7 mt -115.66 147.97 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -111.59 124.49 52.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.965 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.802 ' CZ ' ' O ' ' A' ' 69' ' ' VAL . 3.1 m-85 -102.12 131.09 48.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.969 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.535 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . . . -178.9 -177.19 0.22 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' A' ' 2' ' ' ALA . 18.5 Cg_endo -74.94 157.96 42.71 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.559 1.82 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.521 ' CG2' ' C ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 166.24 170.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.437 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -100.33 161.44 13.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.493 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 78.4 p -148.26 154.85 40.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.951 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.614 ' CG1' ' CG2' ' A' ' 19' ' ' VAL . 1.9 t -99.39 152.72 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.5 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -55.27 -56.53 27.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.477 179.957 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.5 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.97 161.7 38.41 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.483 1.78 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.512 ' C ' HG22 ' A' ' 110' ' ' ILE . 3.8 m -133.89 4.97 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 179.963 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 111' ' ' SER . 89.7 p -176.32 157.84 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 109.976 179.957 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 13' ' ' LEU . . . 65.87 38.17 94.03 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.447 1.092 . . . . 0.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.581 HD13 ' CE2' ' A' ' 112' ' ' PHE . 53.4 mt -61.39 -142.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.9 t -171.13 151.56 3.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.438 ' HA ' ' HG3' ' A' ' 71' ' ' ARG . 6.1 p-10 -56.35 88.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.068 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 89.45 43.9 5.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.502 ' CG2' ' HB3' ' A' ' 13' ' ' LEU . 2.2 t -74.9 89.23 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 0.778 . . . . 0.0 110.365 179.947 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.492 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.3 t -78.82 81.18 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.916 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.614 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 10.3 m -101.11 177.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' HG21 ' A' ' 21' ' ' VAL . 25.3 mttt -72.09 139.58 48.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.941 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' ' 6' ' ' THR . 86.4 t -141.96 137.45 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -136.18 160.81 37.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.592 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 104.51 171.09 24.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.592 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 156.55 -157.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -64.46 -0.84 5.13 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.432 1.083 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.564 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER 49.83 55.65 9.08 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.485 0.756 . . . . 0.0 109.353 179.96 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.492 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 6.4 mm-40 -81.97 -98.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 175.08 87.95 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.968 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.08 16.08 12.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.2 m -83.74 152.02 24.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 0.734 . . . . 0.0 110.346 -179.956 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -58.63 145.71 38.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.576 ' CE2' ' HB1' ' A' ' 24' ' ' ALA . 0.9 OUTLIER -148.19 80.13 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.97 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -47.31 137.03 8.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.538 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 16.2 t -78.72 139.98 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.16 135.77 9.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.531 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 1.5 tp60 -134.47 111.87 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.516 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 34.0 m -127.46 -174.43 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.511 ' CA ' ' OE1' ' A' ' 94' ' ' GLN . . . -144.4 101.24 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.47 ' N ' ' OE1' ' A' ' 94' ' ' GLN . 6.0 t90 -84.75 134.65 34.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 107.945 -179.991 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.545 ' CG2' ' CB ' ' A' ' 91' ' ' ALA . 75.5 t -126.25 -40.22 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.418 ' CB ' HG23 ' A' ' 44' ' ' VAL . 2.1 m-20 -169.31 179.98 3.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 64.8 m -58.46 93.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.378 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.8 -10.17 52.29 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.478 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.1 t -98.32 44.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 39' ' ' TRP . 5.9 tt -114.26 94.3 4.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.08 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.541 ' CB ' ' CG2' ' A' ' 81' ' ' THR . . . -84.11 122.55 28.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.534 ' HB2' ' CG ' ' A' ' 78' ' ' PHE . 1.1 m -89.22 161.78 16.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.486 1.116 . . . . 0.0 108.287 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 45.9 t30 -117.74 80.79 14.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.559 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 18.0 Cg_endo -75.09 36.76 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 110.935 -179.89 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.625 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -130.13 -0.41 4.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.608 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -61.41 -63.39 1.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.625 ' CE2' ' O ' ' A' ' 50' ' ' ALA . 9.1 m-85 77.39 -30.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.538 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 18.7 m -35.68 149.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.028 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 t -144.31 145.79 32.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.994 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 32' ' ' TYR . 7.4 p -135.14 169.02 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.427 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.4 m -128.59 142.06 51.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.372 1.045 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.502 ' HB2' ' HA2' ' A' ' 61' ' ' GLY . . . -68.68 171.5 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.9 p30 -132.29 121.12 23.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.529 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.69 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.651 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.8 m120 -37.57 -45.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.564 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 127.88 -0.43 6.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.945 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.472 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -78.87 140.12 38.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 0.746 . . . . 0.0 109.994 179.95 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -72.12 159.42 34.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' A' ' 65' ' ' THR . 24.9 p -161.31 105.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 -179.934 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.498 ' CG2' ' CD1' ' A' ' 67' ' ' LEU . 2.2 t -177.88 174.82 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 4.5 m -90.26 116.04 27.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.498 ' CD1' ' CG2' ' A' ' 65' ' ' THR . 9.8 mp -105.02 142.93 33.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.624 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 1.8 t -91.56 99.97 12.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.635 HG11 ' CE2' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -78.35 66.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.624 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -62.44 141.2 58.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.252 -179.972 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.614 ' HB3' ' CD2' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -110.26 -71.08 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.18 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.412 ' H ' ' HG3' ' A' ' 71' ' ' ARG . 0.3 OUTLIER -62.07 103.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.017 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.654 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -156.08 -160.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.183 . . . . 0.0 110.947 -179.992 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -117.0 103.05 9.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.41 ' CA ' ' HB3' ' A' ' 46' ' ' ALA . . . -67.16 121.65 16.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.922 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.593 ' O ' ' C ' ' A' ' 77' ' ' LEU . 75.7 m-85 -97.54 119.94 37.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 0.8 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.793 ' HA ' ' O ' ' A' ' 81' ' ' THR . 1.1 mt -23.04 -78.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.534 ' CG ' ' HB2' ' A' ' 47' ' ' CYS . 20.9 t80 64.06 5.54 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.923 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -174.39 -36.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.56 54.85 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.9 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.793 ' O ' ' HA ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -153.38 105.34 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.371 179.938 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.435 ' N ' HD21 ' A' ' 77' ' ' LEU . 12.6 ttt180 -103.09 97.98 7.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.405 1.065 . . . . 0.0 110.238 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.442 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 41.1 m95 -100.81 -106.47 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -179.963 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.687 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 121.72 -149.13 17.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.6 m -50.54 75.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.758 . . . . 0.0 110.399 -179.978 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.687 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.5 OUTLIER -141.12 163.94 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.449 ' HB2' ' CG2' ' A' ' 89' ' ' THR . 0.0 OUTLIER -89.37 121.87 32.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.961 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.654 ' SG ' ' CZ ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -59.71 -30.42 68.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 108.273 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.449 ' CG2' ' HB2' ' A' ' 87' ' ' ASP . 1.8 t -50.84 -17.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -92.72 -15.25 26.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.545 ' CB ' ' CG2' ' A' ' 40' ' ' VAL . . . -126.9 12.46 7.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 42.37 89.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.612 ' CB ' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -62.69 -176.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 108.308 -179.924 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.511 ' OE1' ' CA ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -159.22 142.52 14.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.342 -179.929 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.606 ' CG1' ' CG2' ' A' ' 7' ' ' VAL . 4.2 p -132.86 123.64 49.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.364 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.458 ' HA3' ' HA2' ' A' ' 107' ' ' GLY . . . -143.0 -166.51 11.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.514 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -82.07 156.41 24.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.742 . . . . 0.0 109.291 -179.948 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -156.33 119.2 4.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.78 172.77 7.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.71 26.88 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.383 179.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -147.63 -42.81 0.17 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.556 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -81.98 -61.95 1.97 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 111.063 179.935 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.568 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.6 OUTLIER 37.4 -163.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.568 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 90.8 -170.74 35.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 118.86 5.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.924 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.91 31.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.458 ' HA2' ' HA3' ' A' ' 96' ' ' GLY . . . -92.54 153.52 21.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.485 ' CG1' HG23 ' A' ' 7' ' ' VAL . 13.6 p -81.59 114.36 22.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.32 113.97 5.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.143 . . . . 0.0 109.38 179.927 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.551 ' CG2' ' CD1' ' A' ' 13' ' ' LEU . 95.8 mt -121.83 154.19 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.5 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -84.37 117.97 23.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 -179.984 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.635 ' CE2' HG11 ' A' ' 69' ' ' VAL . 23.2 m-85 -98.11 127.37 44.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.449 ' OD1' ' NH2' ' A' ' 71' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.926 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 1' ' ' ALA . . . 79.8 172.13 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.591 ' O ' ' CG2' ' A' ' 4' ' ' THR . 18.2 Cg_endo -75.05 165.83 30.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.424 1.749 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.591 ' CG2' ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 179.77 157.86 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.472 -179.962 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 97' ' ' LEU . . . -98.72 168.75 9.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.444 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 26.6 p -151.63 157.49 42.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 179.989 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.561 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 13.9 t -105.71 119.25 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.696 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -33.46 -66.57 0.21 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.409 179.962 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.696 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.96 -163.86 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.493 ' HA ' ' CD1' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -161.82 36.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.996 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.457 ' OG ' ' CD2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -140.74 94.27 2.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.04 179.989 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.67 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -71.48 -0.1 36.86 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.41 1.069 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.67 ' C ' ' O ' ' A' ' 12' ' ' GLY . 4.5 mt -13.54 -63.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.777 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.5 t -75.83 96.24 3.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 110.04 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.482 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 7.3 p-10 -45.02 108.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.668 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 92.2 32.74 8.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.435 1.084 . . . . 0.0 110.96 179.927 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 69' ' ' VAL . 1.3 t -74.8 95.13 2.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 0.752 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.2 t -68.15 75.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.8 OUTLIER -82.14 165.37 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 65' ' ' THR . 8.9 tttt -62.94 135.81 57.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.487 ' CG2' HG22 ' A' ' 7' ' ' VAL . 1.1 t -127.76 142.15 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.918 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.76 148.58 33.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.696 ' O ' ' CB ' ' A' ' 24' ' ' ALA . . . 97.69 -171.75 26.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.937 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.696 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . 145.18 -155.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 0.787 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.417 ' H ' ' HB1' ' A' ' 24' ' ' ALA . . . -61.29 -3.42 3.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 46.99 66.56 0.97 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 0.765 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 28' ' ' ALA . 67.1 tp60 -76.77 -99.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . 163.0 46.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.06 71.53 1.0 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.453 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -156.81 158.41 36.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.787 . . . . 0.0 110.341 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.54 151.08 21.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.469 ' HB3' ' CD2' ' A' ' 97' ' ' LEU . 2.8 m-85 -148.68 79.2 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.59 131.37 48.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.593 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 2.6 t -66.38 161.57 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.563 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -138.13 -171.97 12.38 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 174.25 115.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 0.807 . . . . 0.0 110.258 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.552 ' O ' ' HB3' ' A' ' 93' ' ' CYS . 5.1 m -122.76 171.5 9.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 108.341 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.452 ' CB ' ' SG ' ' A' ' 93' ' ' CYS . . . -141.55 165.63 26.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.668 ' HE1' ' NE2' ' A' ' 94' ' ' GLN . 21.0 m95 -118.59 121.36 40.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.008 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.492 HG22 ' CG ' ' A' ' 83' ' ' TRP . 10.3 t -88.76 -127.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.947 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.481 ' O ' ' CG2' ' A' ' 42' ' ' THR . 3.9 t0 -114.11 145.45 41.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.481 ' CG2' ' O ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER 81.2 19.83 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.446 -179.973 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.05 0.62 89.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.49 HG11 ' CD2' ' A' ' 77' ' ' LEU . 4.6 t -49.14 142.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.539 HD11 ' CZ2' ' A' ' 39' ' ' TRP . 2.9 tt -134.67 106.12 6.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.82 126.2 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -180.0 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 1.3 m -91.46 156.34 17.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.347 1.029 . . . . 0.0 108.24 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.757 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 16.6 t-20 -107.6 97.66 20.91 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -74.97 36.22 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.454 1.765 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.75 8.27 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -36.57 -41.42 0.3 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.41 -61.82 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.934 179.985 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.593 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 4.3 m -35.48 151.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 52.9 p -158.35 143.99 16.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.601 ' CG2' ' CG2' ' A' ' 65' ' ' THR . 0.6 OUTLIER -146.4 -162.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.966 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.452 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 1.2 m -146.32 163.97 33.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.941 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 61' ' ' GLY . . . -73.87 -179.84 3.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.702 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.5 p30 -137.02 134.35 36.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.702 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.41 80.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.662 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.2 t30 148.51 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.584 1.177 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.49 ' HA3' ' N ' ' A' ' 27' ' ' GLN . . . 121.15 -8.1 10.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -75.9 134.81 40.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 0.783 . . . . 0.0 109.979 -179.978 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 23' ' ' GLY . . . -81.62 161.78 23.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.464 ' O ' ' HB ' ' A' ' 65' ' ' THR . 98.3 p -163.25 117.36 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.601 ' CG2' ' CG2' ' A' ' 55' ' ' VAL . 3.1 t 177.46 -128.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.566 ' N ' ' OG1' ' A' ' 65' ' ' THR . 23.5 m -151.76 135.68 16.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.0 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 18' ' ' VAL . 6.6 mp -118.1 136.09 53.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.227 -179.952 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.449 HG23 ' NH2' ' A' ' 70' ' ' ARG . 8.8 t -80.65 105.34 11.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.664 ' CG1' ' CE2' ' A' ' 112' ' ' PHE . 2.9 t -77.04 63.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.668 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -49.57 126.52 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.609 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 10.6 ttm180 -67.01 -76.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.451 ' HA ' ' N ' ' A' ' 87' ' ' ASP . 16.5 p -57.3 118.32 4.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 179.953 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.757 ' CZ ' ' HB2' ' A' ' 48' ' ' ASN . 6.9 t80 -119.06 138.81 52.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.543 ' HA ' ' HA3' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -148.26 68.09 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.02 -161.15 28.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.573 1.171 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.678 ' CE1' ' HA ' ' A' ' 81' ' ' THR . 5.8 t80 -129.49 152.0 49.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.611 HD13 ' CZ2' ' A' ' 83' ' ' TRP . 1.6 mt -60.56 -53.54 56.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER 156.31 -16.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 0.9 OUTLIER 170.36 39.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.98 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -134.81 -53.17 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.523 1.139 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.678 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 0.6 OUTLIER 173.28 171.14 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.78 . . . . 0.0 110.392 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.612 ' C ' ' CG ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -95.6 168.99 10.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.612 ' CG ' ' C ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -171.8 -82.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 0.0 108.047 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.634 ' O ' ' HB3' ' A' ' 73' ' ' PHE . . . 70.01 0.79 29.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.513 ' O ' ' C ' ' A' ' 86' ' ' VAL . 12.0 t 37.55 29.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.61 ' O ' ' C ' ' A' ' 87' ' ' ASP . 5.1 p 31.03 -139.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.61 ' C ' ' O ' ' A' ' 86' ' ' VAL . 0.1 OUTLIER -22.75 94.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.753 ' O ' ' N ' ' A' ' 92' ' ' ALA . 19.9 m -41.59 -44.94 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 108.342 -179.996 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 113' ' ' ASN . 0.2 OUTLIER -39.18 -27.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 179.967 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 88' ' ' CYS . 4.8 m -67.64 -28.59 67.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.643 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -135.82 -40.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.753 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 94.12 67.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . 0.552 ' HB3' ' O ' ' A' ' 37' ' ' CYS . 1.8 m -52.36 -176.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 108.364 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.668 ' NE2' ' HE1' ' A' ' 39' ' ' TRP . 17.8 pm0 -131.26 156.07 46.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.479 ' CG1' HG23 ' A' ' 7' ' ' VAL . 3.3 p -132.18 128.01 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -140.92 -170.83 12.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.48 ' HB2' ' CB ' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -109.5 156.0 20.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -137.02 157.56 46.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.99 -179.946 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.434 ' OD1' ' HB2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -100.08 -174.36 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.19 3.43 15.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.06 -13.59 15.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 69.24 34.04 74.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' A' ' 102' ' ' GLY . 2.1 m-80 -51.8 -173.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.1 140.77 43.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -90.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 60.4 51.7 5.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 -179.954 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.28 -102.48 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.43 1.081 . . . . 0.0 111.039 179.931 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.9 p -169.05 134.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.5 113.61 9.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.555 ' CG2' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -103.5 154.28 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 12' ' ' GLY . 59.3 m -94.1 100.17 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.043 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.673 ' CD1' ' HB3' ' A' ' 88' ' ' CYS . 32.9 m-85 -86.37 171.49 11.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.94 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.5 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 40.3 t30 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.556 0.217 . . . . 0.0 110.446 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 97' ' ' LEU . . . -98.44 156.76 16.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.739 ' O ' HG13 ' A' ' 21' ' ' VAL . 26.5 p -151.62 157.15 41.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.001 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.1 t -109.75 136.63 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.544 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.62 -58.78 0.98 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.001 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -74.99 175.58 11.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.558 1.82 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.452 ' HA ' HG12 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -159.09 16.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.623 1.202 . . . . 0.0 110.009 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 111' ' ' SER . 20.4 p 167.56 159.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.441 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 65.77 35.82 91.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.897 HD12 HG11 ' A' ' 69' ' ' VAL . 4.6 mt -93.8 -149.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -150.92 168.1 25.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.586 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 13.4 p-10 -63.59 94.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.613 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 95.84 35.94 5.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.558 1.161 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.683 ' O ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -66.32 80.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 0.757 . . . . 0.0 110.437 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 16' ' ' GLY . 6.2 t -72.21 96.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.849 HG21 ' CG ' ' A' ' 9' ' ' PRO . 33.4 m -120.32 178.82 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -65.99 140.33 58.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.039 HG11 HD22 ' A' ' 67' ' ' LEU . 73.7 t -143.16 141.22 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.39 1.056 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -145.98 154.54 42.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.854 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 109.67 171.96 20.5 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.538 1.149 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.49 -163.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.28 -6.84 2.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.559 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 54.87 59.7 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.527 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 20.7 mm-40 -86.8 -98.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 176.17 93.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.54 17.7 13.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.075 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.0 m -81.5 164.14 22.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 0.809 . . . . 0.0 110.457 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.4 145.89 29.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.541 ' CD1' HD23 ' A' ' 97' ' ' LEU . 3.7 m-85 -143.75 77.12 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -45.52 117.83 1.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.16 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.626 HG21 ' HG ' ' A' ' 67' ' ' LEU . 73.6 t -58.43 153.73 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.98 153.57 24.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.552 ' HG3' HG23 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -146.15 119.78 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.35 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.512 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 19.6 m -123.12 178.23 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.837 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -128.6 108.33 10.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -87.43 111.78 21.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 107.998 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 41' ' ' ASP . 83.9 t -100.54 -106.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.648 ' N ' HG12 ' A' ' 40' ' ' VAL . 8.4 t0 -89.16 39.43 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 41' ' ' ASP . 1.1 m 65.79 -66.02 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.43 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -63.66 -14.17 53.91 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.619 ' HA ' HD11 ' A' ' 77' ' ' LEU . 2.9 t -115.9 93.66 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.412 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 8.1 tt -120.98 107.72 13.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.718 ' HB3' ' HD1' ' A' ' 83' ' ' TRP . . . -94.66 102.04 13.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.512 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -74.89 157.29 35.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 108.254 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 29.5 t30 -114.2 91.06 21.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 41.26 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -134.58 2.85 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.483 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -45.7 -56.1 5.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.476 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.95 -55.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.956 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.489 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.9 m -31.89 149.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.3 p -141.7 131.67 24.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.948 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.588 HG23 ' HB ' ' A' ' 65' ' ' THR . 6.3 p -115.77 145.95 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.6 m -104.94 146.53 28.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -79.62 166.25 22.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.5 p30 -126.57 120.33 29.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.632 1.207 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.06 -89.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.619 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.1 t-20 -36.57 -46.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.559 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.14 1.32 6.27 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.459 1.1 . . . . 0.0 111.059 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -79.11 132.89 36.73 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.443 0.731 . . . . 0.0 110.014 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.854 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -65.16 159.21 24.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.0 p -162.31 106.21 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.958 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.658 HG23 ' N ' ' A' ' 66' ' ' SER . 0.5 OUTLIER 178.1 -177.92 0.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.658 ' N ' HG23 ' A' ' 65' ' ' THR . 0.8 OUTLIER -94.02 124.82 38.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.039 HD22 HG11 ' A' ' 21' ' ' VAL . 5.1 mp -114.54 141.16 48.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.701 HG23 ' NE ' ' A' ' 70' ' ' ARG . 5.1 t -82.26 110.26 17.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.897 HG11 HD12 ' A' ' 13' ' ' LEU . 4.6 t -84.61 63.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.701 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -37.18 154.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.705 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 4.4 tmm_? -110.82 -63.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.463 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 97.0 p -117.8 145.44 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.932 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.452 ' CD2' ' OD1' ' A' ' 48' ' ' ASN . 52.3 p90 -178.89 -165.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 110.955 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HA ' ' C ' ' A' ' 84' ' ' GLY . 2.6 pt-20 -111.95 117.4 32.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -113.88 172.87 14.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 82' ' ' ARG . 1.5 t80 -149.81 140.31 22.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 111.076 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.637 ' O ' ' HB2' ' A' ' 78' ' ' PHE . 4.3 mm? -49.8 -70.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.637 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 67.8 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 76' ' ' PHE . 32.7 ttp180 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.718 ' HD1' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -65.88 -78.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 107.977 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 124.25 161.8 11.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 85' ' ' THR . 1.3 m -65.54 68.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 110.347 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.558 HG22 ' H ' ' A' ' 87' ' ' ASP . 8.5 p -126.32 172.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.558 ' H ' HG22 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -65.58 136.8 56.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.614 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -95.0 -22.83 17.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 108.281 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.423 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 2.5 t -52.33 -23.77 6.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -22.78 49.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.513 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -115.08 18.12 16.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 35.42 69.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.837 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -51.63 -179.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.293 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 15.7 pm0 -148.69 150.95 34.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.553 ' CG1' HG21 ' A' ' 7' ' ' VAL . 12.6 p -131.74 121.72 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.426 ' HA3' ' CG ' ' A' ' 106' ' ' GLU . . . -138.62 -174.21 13.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.467 1.105 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.863 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -83.35 145.44 29.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.751 . . . . 0.0 109.357 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.863 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -137.24 137.15 38.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.434 ' OD1' ' CB ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.83 ' N ' HD21 ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -42.43 167.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.594 1.184 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.3 22.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.426 ' CG ' ' HA3' ' A' ' 96' ' ' GLY . 27.5 mm-40 -80.64 -156.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.27 29.38 0.11 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.408 1.068 . . . . 0.0 111.061 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.76 HG12 ' O ' ' A' ' 108' ' ' VAL . 2.7 t -105.03 78.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.34 104.73 5.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.554 HG21 ' CD1' ' A' ' 13' ' ' LEU . 1.8 mt -109.34 141.33 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.457 ' HB3' ' CB ' ' A' ' 11' ' ' SER . 0.9 OUTLIER -85.38 108.17 17.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.916 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.791 ' CE1' HG12 ' A' ' 69' ' ' VAL . 12.9 m-30 -85.89 145.09 27.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 112' ' ' PHE . 62.0 t30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.462 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -100.55 168.74 9.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.918 ' O ' HG13 ' A' ' 21' ' ' VAL . 16.7 p -151.8 157.91 42.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.033 HG12 ' HD2' ' A' ' 9' ' ' PRO . 10.0 t -100.01 119.74 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.579 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -27.79 -60.34 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.393 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.033 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.07 -91.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.493 1.786 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.698 ' HA ' HG23 ' A' ' 110' ' ' ILE . 2.2 p 89.83 24.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.036 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.546 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 87.5 p -176.17 157.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.078 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.14 41.71 47.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.715 HD21 ' HB2' ' A' ' 9' ' ' PRO . 52.7 mt -99.74 -145.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.48 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.6 t -162.52 162.44 27.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.503 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 6.7 p-10 -57.32 98.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.474 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 94.1 39.3 4.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.655 HG21 ' HB3' ' A' ' 13' ' ' LEU . 2.9 m -80.77 91.33 5.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.8 t -71.24 90.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -108.66 172.27 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -77.08 143.11 39.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.918 HG13 ' O ' ' A' ' 6' ' ' THR . 91.0 t -137.15 138.66 45.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -137.8 157.1 47.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.775 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 101.67 -179.74 27.89 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 150.61 -160.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.79 -1.24 2.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.566 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.4 tp 47.86 62.59 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.804 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 6.6 mm-40 -89.97 -99.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.235 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 178.22 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.469 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 58.39 13.95 18.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 31' ' ' ALA . 20.0 m -74.29 165.3 25.42 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.53 0.782 . . . . 0.0 110.356 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.42 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -86.03 146.98 26.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.698 ' HD2' ' HB2' ' A' ' 63' ' ' ALA . 7.6 m-85 -143.19 77.68 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -50.66 122.59 7.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.615 HG12 ' OD2' ' A' ' 51' ' ' ASP . 97.0 t -65.2 149.55 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.78 145.31 15.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.613 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -130.19 113.58 14.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 0.742 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 4.6 m -124.87 169.2 12.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 108.274 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.47 104.89 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.072 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.448 ' CD1' ' O ' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -77.59 119.86 21.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 107.978 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.682 HG11 ' CZ2' ' A' ' 83' ' ' TRP . 16.4 t -109.97 -27.4 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.413 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -177.88 172.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.4 m -54.71 90.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 102.31 -6.85 53.63 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.098 . . . . 0.0 110.957 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.413 ' HB ' ' N ' ' A' ' 41' ' ' ASP . 2.7 t -98.42 39.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 105' ' ' PRO . 0.6 OUTLIER -98.55 111.54 23.87 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.925 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -86.57 100.0 12.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.376 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.504 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -82.35 145.43 29.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 108.303 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.613 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 30.6 t30 -116.09 80.38 9.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.99 26.47 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.614 ' O ' ' CG ' ' A' ' 52' ' ' PHE . . . -114.26 0.51 14.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.615 ' OD2' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -48.71 -42.87 36.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 50' ' ' ALA . 9.1 m-85 70.12 -49.22 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.451 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -35.13 151.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 t -151.03 138.45 19.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.908 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.017 HG23 ' HB ' ' A' ' 65' ' ' THR . 10.3 p -122.91 149.39 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 57' ' ' ALA . 1.3 m -106.31 148.76 27.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.508 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -77.2 171.12 15.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.9 p30 -132.2 121.06 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.512 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.35 -89.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.1 t-20 -36.98 -44.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.566 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.68 0.47 7.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.122 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 8.6 m -77.06 135.81 38.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 0.731 . . . . 0.0 109.955 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.38 157.1 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 0.0 109.35 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.407 ' O ' ' HB ' ' A' ' 65' ' ' THR . 21.5 p -155.89 110.68 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 1.017 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.94 166.74 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.4 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 10.0 p -88.73 127.88 35.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.697 HD22 HG11 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -110.2 144.86 38.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.703 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 9.1 t -84.77 99.65 11.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.39 1.056 . . . . 0.0 110.386 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.966 HG12 ' CE2' ' A' ' 112' ' ' PHE . 19.8 t -72.34 63.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.216 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.703 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.1 OUTLIER -63.21 129.72 41.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.503 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 5.1 tmm_? -89.46 -72.54 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.4 p -70.55 96.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CE2' ' HB2' ' A' ' 48' ' ' ASN . 4.2 p90 -138.1 156.53 47.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -92.22 98.73 11.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.605 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -97.91 150.44 19.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 5.0 m-85 -119.13 136.28 54.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.732 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 5.8 mp -55.55 -49.77 71.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.496 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.571 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.925 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 45.4 m95 -77.62 -66.68 0.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 0.0 107.974 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.575 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 87.95 126.87 2.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 85' ' ' THR . 0.8 OUTLIER 23.86 81.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 110.327 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.7 p -128.67 150.77 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -80.96 118.31 22.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.67 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -63.96 -40.11 95.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 108.354 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.0 t -54.18 -24.51 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.3 m -82.95 -19.62 36.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.537 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -126.67 23.13 6.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 30.11 56.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.253 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.593 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 1.6 p -51.83 -175.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 108.241 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.495 ' CB ' ' C ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -146.49 159.19 43.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.34 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.922 HG12 HD12 ' A' ' 110' ' ' ILE . 3.1 p -135.21 98.27 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.491 ' HA3' ' CB ' ' A' ' 106' ' ' GLU . . . -116.18 177.08 16.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.0 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -80.74 155.37 26.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 0.742 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . 1.0 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -144.99 130.31 18.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.965 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.579 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.579 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 91.02 173.95 43.86 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.44 ' HB3' HD11 ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.01 128.73 11.7 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.555 1.819 . . . . 0.0 110.972 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.491 ' CB ' ' HA3' ' A' ' 96' ' ' GLY . 1.1 tp10 -79.37 -55.66 4.9 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 112.81 15.22 9.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 108' ' ' VAL . 15.0 t -71.99 70.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.584 0.814 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.95 118.15 7.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.246 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.949 HD11 ' CG2' ' A' ' 7' ' ' VAL . 88.5 mt -121.09 149.33 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.546 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -93.48 100.47 12.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.966 ' CE2' HG12 ' A' ' 69' ' ' VAL . 5.0 m-85 -85.07 15.07 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 112' ' ' PHE . 1.3 t30 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.496 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -103.19 161.26 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.854 ' O ' HG13 ' A' ' 21' ' ' VAL . 1.8 p -153.27 162.52 41.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.437 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.083 HG12 ' HD2' ' A' ' 9' ' ' PRO . 5.4 t -115.72 133.94 60.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.595 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -32.31 -61.44 0.32 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 110.392 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.083 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.01 -84.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER 86.47 24.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.986 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.414 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 61.2 p -178.61 139.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 72.97 33.45 59.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.95 HD12 HG11 ' A' ' 69' ' ' VAL . 8.3 mt -94.45 -151.3 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.805 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.23 171.76 18.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.523 ' CB ' ' HG3' ' A' ' 71' ' ' ARG . 30.7 t0 -67.2 100.1 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' OG1' ' A' ' 68' ' ' THR . . . 100.86 27.64 7.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.721 HG21 ' HB3' ' A' ' 13' ' ' LEU . 2.1 m -78.48 80.08 4.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 110.36 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.802 HG22 ' HB ' ' A' ' 68' ' ' THR . 10.4 t -72.61 94.87 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.651 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.4 OUTLIER -116.09 169.88 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.15 131.59 51.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.854 HG13 ' O ' ' A' ' 6' ' ' THR . 73.6 t -134.59 139.75 47.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.88 154.21 46.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.851 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 107.47 171.51 22.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.84 ' HB1' ' HG ' ' A' ' 97' ' ' LEU . . . 155.48 -161.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.68 -4.63 3.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.551 1.157 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.547 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.1 tp 53.34 60.41 3.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.438 0.728 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.527 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 7.9 mm-40 -84.99 -99.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 174.47 90.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.12 19.92 18.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 1.2 m -85.38 164.02 18.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.415 ' N ' ' CG2' ' A' ' 30' ' ' THR . . . -76.78 147.54 37.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.637 ' O ' HG12 ' A' ' 55' ' ' VAL . 3.1 m-85 -145.95 79.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -48.83 118.73 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.654 HG22 HD21 ' A' ' 67' ' ' LEU . 48.5 t -54.62 155.44 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.215 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.478 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -136.15 -169.15 11.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.389 1.056 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.771 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.1 OUTLIER 172.17 120.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 0.734 . . . . 0.0 110.243 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 11.4 m -134.48 172.98 12.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.606 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -145.16 127.14 15.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.916 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 44.3 t90 -79.06 129.32 34.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.024 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.577 HG21 ' NE1' ' A' ' 83' ' ' TRP . 88.7 t -114.34 -102.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.55 ' HB3' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -56.62 -162.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -76.0 -46.1 31.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.76 32.14 5.28 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.573 HG11 ' HZ2' ' A' ' 83' ' ' TRP . 13.8 t -124.5 127.35 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.8 tt -132.64 102.17 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.643 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -74.58 104.48 5.29 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.482 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -84.02 159.51 21.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.579 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 45.4 t30 -114.47 86.01 11.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -74.94 39.22 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.78 2.99 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -42.92 -52.04 5.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.393 1.058 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 65.81 -54.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.8 m -34.12 152.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 p -139.77 137.13 34.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 110.059 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 32' ' ' TYR . 3.1 p -125.66 160.04 32.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 57' ' ' ALA . 1.5 m -117.37 152.63 34.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -84.1 170.19 14.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.608 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.3 p30 -129.53 120.54 25.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.618 1.199 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.62 -90.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.39 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.608 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.4 m-80 -35.4 -46.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.547 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.68 0.39 6.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 111.089 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 67.2 m -78.26 137.09 37.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.777 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.851 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -68.33 161.86 26.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' A' ' 65' ' ' THR . 27.5 p -164.86 101.93 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.064 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.427 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.7 OUTLIER -179.98 174.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 110.431 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.723 ' HB3' HG12 ' A' ' 18' ' ' VAL . 16.2 m -84.47 120.48 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.952 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.714 ' HB2' HG21 ' A' ' 21' ' ' VAL . 6.1 mp -114.73 138.49 50.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.259 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 1.062 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -76.96 117.88 19.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 110.425 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.024 HG12 ' CE2' ' A' ' 112' ' ' PHE . 11.9 t -87.47 63.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 1.062 ' NE ' HG23 ' A' ' 68' ' ' THR . 1.0 OUTLIER -60.9 140.43 57.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.573 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 0.4 OUTLIER -110.7 -74.95 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.081 . . . . 0.0 110.359 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.2 t -69.0 83.08 0.32 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.552 1.158 . . . . 0.0 109.923 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.615 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -132.33 150.48 52.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.498 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 2.3 pt-20 -77.55 120.17 22.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.592 1.182 . . . . 0.0 110.386 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.587 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -110.16 150.53 17.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.57 ' CE2' ' HD2' ' A' ' 82' ' ' ARG . 7.3 m-85 -113.39 133.78 54.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.622 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 10.6 mp -37.63 -60.95 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.622 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.4 t80 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.57 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.643 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 13.6 m95 -96.85 -61.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 108.017 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.498 ' HA2' ' CB ' ' A' ' 74' ' ' GLU . . . 102.77 144.81 14.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.768 ' O ' HG23 ' A' ' 85' ' ' THR . 3.8 t 30.98 49.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.727 . . . . 0.0 110.355 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.447 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -80.34 119.69 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.556 ' HB3' HG22 ' A' ' 89' ' ' THR . 1.1 m-20 -72.32 103.94 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.638 ' O ' ' N ' ' A' ' 92' ' ' ALA . 64.9 m -47.09 -38.92 12.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 108.273 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 87' ' ' ASP . 14.6 t -59.07 -26.16 64.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 87' ' ' ASP . 30.6 m -77.13 -28.56 54.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.916 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -132.4 35.65 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 21.63 62.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.206 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.606 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -54.74 -171.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.092 . . . . 0.0 108.35 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.509 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -144.52 158.35 43.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.088 . . . . 0.0 110.302 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.95 ' CG1' HD12 ' A' ' 110' ' ' ILE . 7.6 p -140.3 111.98 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.11 -171.61 12.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.952 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -72.66 154.46 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 0.754 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.952 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -143.22 95.44 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.022 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.499 ' HB3' ' CA ' ' A' ' 98' ' ' SER . 20.0 p30 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.17 -146.27 18.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.429 ' HB3' HD13 ' A' ' 45' ' ' LEU . 18.4 Cg_endo -74.99 95.19 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.525 1.802 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 179.14 36.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.26 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -88.55 170.06 38.15 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.823 HG12 ' O ' ' A' ' 95' ' ' VAL . 11.3 p -95.6 119.06 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.633 0.843 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.53 110.75 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.226 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.95 HD12 ' CG1' ' A' ' 95' ' ' VAL . 63.7 mt -112.8 147.95 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.381 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -98.33 103.18 15.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.024 ' CE2' HG12 ' A' ' 69' ' ' VAL . 29.0 m-85 -86.46 129.11 34.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.239 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.555 0.217 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . -112.6 160.27 18.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.687 ' O ' HG13 ' A' ' 21' ' ' VAL . 2.6 p -153.27 165.12 36.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.984 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.6 t -96.16 135.18 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.538 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -38.25 -58.34 1.53 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.393 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.984 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -74.87 175.73 10.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.439 1.757 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.717 ' C ' HG23 ' A' ' 110' ' ' ILE . 10.1 p -153.36 16.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.045 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.506 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 80.9 p 176.39 161.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.34 35.68 90.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.061 HD12 HG11 ' A' ' 69' ' ' VAL . 4.6 mt -89.46 -143.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 0.783 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.38 161.19 16.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.484 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 51.8 t0 -64.74 94.64 0.13 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.432 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 93.37 34.51 6.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.077 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.827 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -82.39 96.89 8.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 110.384 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.648 HG12 ' HB3' ' A' ' 66' ' ' SER . 2.7 t -75.26 101.56 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.603 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -114.18 169.06 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.065 . . . . 0.0 109.238 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.98 127.91 33.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.784 HG22 HG13 ' A' ' 7' ' ' VAL . 78.7 t -128.07 139.13 52.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.06 159.85 41.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.884 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 101.15 174.14 28.86 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 156.7 -160.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.73 0.23 3.32 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.537 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 3.5 tp 48.93 63.43 2.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.412 0.713 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.518 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 11.2 mm-40 -92.85 -102.25 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 110.353 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -178.53 84.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.541 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 61.46 13.5 37.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.69 159.06 33.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 0.728 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.601 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -69.08 149.11 49.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.592 1.182 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 1.13 ' CG ' HD21 ' A' ' 97' ' ' LEU . 3.7 m-30 -149.32 81.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.548 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -53.81 128.47 29.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.528 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 46.7 t -67.21 146.04 13.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.078 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -123.35 -173.36 14.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.612 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 170.04 116.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 15.0 m -128.03 175.4 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.667 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -151.81 125.94 9.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.822 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -75.47 150.58 38.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 107.975 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.771 HG21 ' CD1' ' A' ' 83' ' ' TRP . 80.5 t -135.61 -106.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.669 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -58.7 163.87 3.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.1 m -62.43 89.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.15 -15.8 25.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.159 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.645 ' CG1' HD22 ' A' ' 77' ' ' LEU . 21.2 t -88.37 125.73 41.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.751 HD12 ' HB2' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -129.41 114.86 16.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.522 ' HB1' ' C ' ' A' ' 75' ' ' GLY . . . -94.39 113.34 25.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -81.87 167.98 18.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.155 . . . . 0.0 108.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 28.0 t-20 -113.79 87.78 12.93 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.03 40.92 0.69 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -138.32 4.86 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.469 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 1.3 p30 -42.04 -57.28 2.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.413 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 67.5 -51.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 111.021 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.516 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.9 m -38.42 149.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.055 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.6 p -146.56 142.44 28.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.94 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 56' ' ' THR . 1.6 p -132.54 166.1 30.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.488 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.1 m -124.07 147.64 47.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -72.0 175.02 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.655 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.0 p30 -133.37 119.94 20.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.533 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.7 -88.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.655 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.3 m120 -36.27 -46.65 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.537 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.43 -1.15 6.5 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.576 1.173 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 4.8 m -79.57 141.66 36.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.045 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.884 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.58 156.08 29.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.1 p -157.46 106.08 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.42 HG21 ' HB ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.98 170.52 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.178 . . . . 0.0 110.414 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.648 ' HB3' HG12 ' A' ' 18' ' ' VAL . 15.8 m -86.29 125.54 33.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.966 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.772 ' HB2' HG21 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -114.91 140.13 49.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.943 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -78.32 118.25 20.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.178 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.9 t -89.02 60.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.943 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.4 OUTLIER -48.11 136.39 11.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.228 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.524 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 1.3 ttp180 -106.88 -78.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 t -77.67 91.32 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.553 ' O ' HG12 ' A' ' 86' ' ' VAL . 7.2 p90 -138.62 165.57 26.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.464 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.9 OUTLIER -81.56 118.3 22.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.236 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.522 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -97.36 143.17 16.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 33.9 m-85 -116.7 124.53 49.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 0.736 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.645 HD22 ' CG1' ' A' ' 44' ' ' VAL . 9.8 mt -39.85 -72.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.601 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.416 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 1.4 ppt_? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.771 ' CD1' HG21 ' A' ' 40' ' ' VAL . 71.1 m95 -73.91 -48.1 33.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 108.055 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.631 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 79.25 158.4 13.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 111.063 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 15.49 72.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 110.391 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 73' ' ' PHE . 9.0 p -120.39 143.6 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.21 116.24 22.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.678 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -65.4 -39.12 91.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.29 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.413 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 8.7 t -58.57 -22.26 55.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.6 m -83.08 -22.42 33.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.396 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.822 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -126.23 24.18 6.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 30.82 60.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.667 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 1.7 p -51.66 -177.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.694 HE22 HD11 ' A' ' 45' ' ' LEU . 12.6 pm0 -137.38 154.77 49.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.856 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.2 p -136.87 116.43 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.171 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -135.63 -158.66 8.3 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.547 1.154 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.13 HD21 ' CG ' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -93.82 165.2 12.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.221 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.548 ' O ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -154.05 116.29 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.047 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.431 ' HB2' ' OD1' ' A' ' 99' ' ' ASP . 1.6 t30 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -34.67 144.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.03 -178.38 4.14 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.441 1.758 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 1.7 mm-40 160.08 49.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.452 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -76.06 167.32 54.63 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.856 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.6 p -101.77 119.98 50.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.75 107.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.815 HG21 HD11 ' A' ' 13' ' ' LEU . 66.2 mt -121.49 150.78 24.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.506 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -87.13 116.67 25.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.973 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.178 ' CE2' HG12 ' A' ' 69' ' ' VAL . 1.4 m-85 -96.6 126.32 41.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.4 t30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . -105.71 152.37 23.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.947 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.2 p -149.49 159.86 43.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.395 1.059 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.744 ' HA ' HG22 ' A' ' 21' ' ' VAL . 2.1 t -83.57 115.43 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.607 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -37.19 -61.92 0.64 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.444 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.743 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.03 -91.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.561 1.821 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.806 ' HA ' HG23 ' A' ' 110' ' ' ILE . 9.5 p 72.43 40.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.959 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.6 ' O ' HD23 ' A' ' 13' ' ' LEU . 65.7 p -153.61 133.66 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.078 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.33 44.08 4.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.947 HD12 HG11 ' A' ' 69' ' ' VAL . 13.8 mt -79.99 -152.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.51 0.77 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.436 ' CB ' ' OG1' ' A' ' 17' ' ' THR . 0.1 OUTLIER -148.59 172.22 14.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.566 ' HA ' ' HB2' ' A' ' 71' ' ' ARG . 64.6 t0 -67.43 108.47 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.19 29.25 41.72 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.897 HG22 HG13 ' A' ' 19' ' ' VAL . 53.7 m -72.03 84.4 0.99 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.437 0.728 . . . . 0.0 110.414 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.6 t -65.52 78.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.897 HG13 HG22 ' A' ' 17' ' ' THR . 21.7 m -85.23 -172.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -88.91 144.27 26.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.947 HG13 ' O ' ' A' ' 6' ' ' THR . 61.5 t -140.63 144.7 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -143.77 158.08 43.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.373 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.912 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 107.29 174.28 22.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.824 ' HB1' HD13 ' A' ' 97' ' ' LEU . . . 152.49 -161.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.22 -3.75 4.09 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 50.05 57.12 6.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 0.0 109.36 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.475 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 36.1 mm-40 -89.66 -100.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -179.13 89.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.589 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 64.36 13.74 55.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.425 1.078 . . . . 0.0 111.085 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 m -73.81 158.98 33.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 110.368 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.466 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -79.35 145.44 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.806 ' HB3' HD12 ' A' ' 97' ' ' LEU . 8.4 m-85 -145.67 76.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.03 134.69 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.508 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 3.6 t -76.27 154.75 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -127.42 -167.67 12.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.919 ' HB2' HG22 ' A' ' 95' ' ' VAL . 0.4 OUTLIER 164.02 107.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.781 . . . . 0.0 110.255 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 39.7 m -124.38 179.67 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 108.358 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.874 ' HB2' ' SG ' ' A' ' 88' ' ' CYS . . . -125.06 129.02 49.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.682 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -91.82 110.1 21.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 108.054 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.582 HG21 ' HE1' ' A' ' 83' ' ' TRP . 41.0 t -93.49 -116.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.558 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -90.57 37.18 0.9 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.433 1.083 . . . . 0.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 69.06 -59.31 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.474 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.449 ' N ' HG22 ' A' ' 42' ' ' THR . . . -65.25 -12.47 55.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.487 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 17.4 t -126.87 128.13 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 39' ' ' TRP . 1.0 OUTLIER -135.18 112.91 10.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.027 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -86.55 90.32 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.566 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -69.72 157.79 36.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 108.225 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 30.3 t-20 -115.34 84.26 11.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.95 44.79 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -142.23 6.33 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -51.99 -61.29 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.449 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 72.73 -45.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.508 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.8 m -36.27 155.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 t -151.16 139.94 20.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.779 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 7.7 p -121.96 148.45 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -110.22 145.67 36.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.414 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.589 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -71.18 169.03 15.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.657 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.0 p30 -131.71 120.19 22.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.51 -88.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.657 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.7 m-20 -38.2 -45.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.519 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.47 -1.09 6.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -77.6 136.85 38.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 109.958 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.912 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -75.01 159.17 32.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' A' ' 65' ' ' THR . 90.6 p -162.17 117.62 1.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.567 HG23 ' N ' ' A' ' 66' ' ' SER . 12.5 t -176.99 -151.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.621 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.4 m -125.19 136.41 53.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.963 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.866 ' HB2' HG21 ' A' ' 21' ' ' VAL . 7.3 mp -120.71 135.92 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.798 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -76.15 99.83 4.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.376 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.947 HG11 HD12 ' A' ' 13' ' ' LEU . 60.5 t -69.58 62.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.798 ' NE ' HG23 ' A' ' 68' ' ' THR . 6.8 mtm180 -46.64 131.07 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HB2' ' HA ' ' A' ' 15' ' ' ASP . 12.9 mtp180 -79.89 -53.88 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 84.2 p -134.74 159.43 41.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.479 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 6.1 p90 178.1 -171.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.27 96.9 6.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -95.85 -166.9 34.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 9.0 m-85 -130.98 132.21 44.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.629 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 3.2 mp -49.67 -46.84 50.27 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.629 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 3.4 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 1.027 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -75.53 -79.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.041 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 142.43 161.73 8.91 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 85' ' ' THR . 1.7 m -63.34 72.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.761 . . . . 0.0 110.45 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.528 HG22 ' H ' ' A' ' 87' ' ' ASP . 8.8 p -112.4 171.15 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.528 ' H ' HG22 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -70.96 136.04 48.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.874 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -98.5 -36.75 9.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -51.4 -35.49 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 110.42 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.19 -22.5 62.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -109.68 20.92 17.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 93' ' ' CYS . . . 39.12 70.19 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.97 -176.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.264 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.567 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.7 pm0 -160.2 146.97 15.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.919 HG22 ' HB2' ' A' ' 36' ' ' GLN . 40.7 t -130.92 109.59 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -120.8 -165.07 12.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.824 HD13 ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -97.62 155.87 16.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.483 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 29.4 t -157.41 114.41 3.01 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -144.0 -81.37 0.05 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.07 32.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.73 -52.15 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 111.94 25.6 4.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 93.8 t -72.5 76.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.449 0.735 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.53 109.49 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.806 HG23 ' HA ' ' A' ' 10' ' ' SER . 4.9 mt -109.18 145.28 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.501 ' HB2' ' HA ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -89.17 90.57 8.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.703 ' CD2' HG12 ' A' ' 69' ' ' VAL . 45.0 m-85 -83.96 132.17 34.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.478 ' CG2' ' HG2' ' A' ' 105' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.538 ' O ' ' CA ' ' A' ' 107' ' ' GLY . . . -104.4 159.53 15.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.681 ' HA ' HG12 ' A' ' 108' ' ' VAL . 15.6 p -152.41 158.67 42.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.678 ' CG2' HG23 ' A' ' 19' ' ' VAL . 1.1 p -116.15 135.48 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.568 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.91 -59.74 0.6 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.953 ' CG ' HG21 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.97 -165.76 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.814 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.7 t 146.94 39.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.49 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 71.9 p -173.55 125.66 0.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.96 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 61.46 31.46 77.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.913 HD13 HG21 ' A' ' 17' ' ' THR . 4.7 mt -78.7 -141.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.74 163.85 21.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.462 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 7.8 p-10 -66.8 99.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.613 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 104.45 22.18 8.78 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.913 HG21 HD13 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -64.4 80.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 110.435 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 16' ' ' GLY . 21.0 t -69.88 114.52 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.953 HG21 ' CG ' ' A' ' 9' ' ' PRO . 2.7 m -139.52 -172.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 65' ' ' THR . 3.1 tttt -78.44 135.01 37.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.623 HG11 ' HG ' ' A' ' 67' ' ' LEU . 10.0 p -130.26 140.65 48.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.5 154.82 46.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.756 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 92.07 179.54 41.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 155.11 -149.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.447 ' C ' ' OH ' ' A' ' 32' ' ' TYR . . . -64.8 -0.78 5.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.125 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.4 tp 50.86 50.18 19.58 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.4 0.706 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.4 tp60 -69.53 -103.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 59' ' ' ALA . . . 176.96 78.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.3 55.99 14.28 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.41 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -136.61 160.31 39.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 110.371 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.97 149.85 4.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.499 ' HB3' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -151.07 82.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.72 117.68 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.036 HG21 HD21 ' A' ' 67' ' ' LEU . 31.2 t -65.88 151.02 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.203 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -143.27 138.48 8.25 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.869 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -125.82 120.96 31.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.254 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 10.2 m -138.4 173.83 11.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 108.326 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.838 ' HB2' ' CB ' ' A' ' 93' ' ' CYS . . . -140.43 107.62 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.576 ' HB3' HD12 ' A' ' 45' ' ' LEU . 12.0 p-90 -86.77 122.53 30.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 108.025 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.76 HG22 ' HB1' ' A' ' 91' ' ' ALA . 59.7 t -111.29 -27.56 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 43' ' ' GLY . 5.0 t0 179.37 61.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.523 HG22 ' N ' ' A' ' 43' ' ' GLY . 1.4 m 56.43 -85.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.465 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.523 ' N ' HG22 ' A' ' 42' ' ' THR . . . -64.09 -12.35 49.18 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.504 1.127 . . . . 0.0 111.061 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.84 ' HA ' HD23 ' A' ' 77' ' ' LEU . 11.5 t -105.71 43.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.373 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.576 HD12 ' HB3' ' A' ' 39' ' ' TRP . 4.5 tt -102.3 111.22 23.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.225 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 1.022 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -92.81 101.82 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -84.09 147.89 27.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.573 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 58.9 t30 -113.14 87.43 10.75 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.518 ' HG3' ' CE1' ' A' ' 76' ' ' PHE . 18.6 Cg_endo -74.89 32.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.46 1.768 . . . . 0.0 111.059 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.622 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -127.63 1.53 6.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -50.61 -51.01 52.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 13.6 m-85 69.34 -47.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 52' ' ' PHE . 3.9 m -26.96 142.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.369 1.043 . . . . 0.0 109.988 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.53 ' CA ' HG23 ' A' ' 34' ' ' VAL . 77.9 p -141.92 136.74 30.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.965 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.921 HG22 HG21 ' A' ' 65' ' ' THR . 3.7 t -141.19 165.53 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.392 1.058 . . . . 0.0 109.254 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.525 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 1.6 m -120.15 155.5 32.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.714 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -82.65 179.1 7.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.697 ' O ' ' N ' ' A' ' 60' ' ' ASN . 10.6 p30 -132.8 123.41 26.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.56 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 27.53 -86.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.697 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.3 m-20 -36.79 -47.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.714 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 127.09 1.59 6.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 20.7 m -88.84 142.89 27.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 0.715 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -70.68 173.68 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.55 ' O ' ' HB ' ' A' ' 65' ' ' THR . 45.2 p -179.77 106.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.921 HG21 HG22 ' A' ' 55' ' ' VAL . 7.1 t 177.91 -136.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.534 ' N ' HG23 ' A' ' 65' ' ' THR . 16.5 m -129.28 130.76 46.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.036 HD21 HG21 ' A' ' 34' ' ' VAL . 6.0 mt -125.13 151.46 45.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.773 HG23 ' NE ' ' A' ' 70' ' ' ARG . 8.7 t -88.06 102.52 14.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.976 HG11 HG21 ' A' ' 110' ' ' ILE . 21.2 t -69.41 64.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.773 ' NE ' HG23 ' A' ' 68' ' ' THR . 1.6 mtm180 -55.67 143.91 28.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.236 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.544 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 3.4 ttp180 -117.27 -74.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 t -67.29 113.08 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.63 ' CE1' ' SG ' ' A' ' 88' ' ' CYS . 2.5 p90 -157.54 175.78 13.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.443 ' HB3' ' N ' ' A' ' 85' ' ' THR . 0.3 OUTLIER -129.91 93.65 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -94.26 178.49 37.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 47' ' ' CYS . 49.6 p90 -110.74 131.65 54.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.84 HD23 ' HA ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -55.33 -48.53 74.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.608 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.1 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.46 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 1.022 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 6.6 m95 -51.36 -86.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.672 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 106.8 153.01 19.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.76 HG22 ' O ' ' A' ' 85' ' ' THR . 1.0 OUTLIER 9.56 72.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 0.725 . . . . 0.0 110.389 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 73' ' ' PHE . 4.8 p -121.11 131.5 72.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -81.75 113.56 19.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.63 ' SG ' ' CE1' ' A' ' 73' ' ' PHE . 1.5 m -45.13 -46.21 11.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.284 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 t -52.2 -33.44 40.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 87' ' ' ASP . 97.1 m -68.5 -25.52 65.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.76 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -128.45 24.37 5.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.077 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 27.28 56.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.838 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . 1.5 p -51.41 180.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 108.322 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.468 ' N ' ' OE1' ' A' ' 94' ' ' GLN . 5.3 pm0 -137.47 158.49 44.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.869 HG23 ' CG ' ' A' ' 36' ' ' GLN . 14.9 p -133.29 111.06 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.499 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -132.71 -160.58 9.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.414 1.071 . . . . 0.0 111.009 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.701 HD11 HG22 ' A' ' 34' ' ' VAL . 1.7 mp -114.53 158.69 21.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.766 . . . . 0.0 109.281 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.28 141.16 23.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.55 HD21 ' N ' ' A' ' 103' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.57 166.85 0.03 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.478 ' HG2' ' CG2' ' A' ' 4' ' ' THR . 18.4 Cg_endo -74.95 -161.1 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -69.72 -124.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.538 ' CA ' ' O ' ' A' ' 5' ' ' ALA . . . -128.84 -83.63 0.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.681 HG12 ' HA ' ' A' ' 6' ' ' THR . 7.5 p -153.57 150.37 12.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.488 0.758 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.04 110.89 15.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.976 HG21 HG11 ' A' ' 69' ' ' VAL . 3.2 mt -97.23 138.38 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.49 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -93.0 87.31 5.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.894 ' CE2' HG12 ' A' ' 69' ' ' VAL . 14.4 m-85 -68.78 120.9 15.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.425 ' H ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.501 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -99.9 166.13 11.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.963 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.5 p -153.01 155.73 37.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.388 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.054 HG12 ' HD2' ' A' ' 9' ' ' PRO . 6.7 t -126.91 141.13 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.586 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.13 -60.82 0.53 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.399 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.054 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.09 -163.88 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.564 ' C ' HG23 ' A' ' 110' ' ' ILE . 12.8 p -148.12 -26.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.037 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.645 ' HA ' ' O ' ' A' ' 111' ' ' SER . 81.2 p -169.79 167.76 9.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 75.77 23.46 72.4 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.517 1.135 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.018 HD12 HG11 ' A' ' 69' ' ' VAL . 4.9 mt -71.56 -143.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.317 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.452 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.7 t -161.4 161.14 30.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.501 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 37.0 t0 -57.56 90.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.369 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 97.29 40.23 3.77 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.445 1.091 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.605 ' O ' HG22 ' A' ' 17' ' ' THR . 1.1 m -71.14 82.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.363 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 6.0 t -71.51 94.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.451 HG21 ' CG ' ' A' ' 9' ' ' PRO . 21.9 m -127.63 169.9 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -56.09 141.77 39.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.984 HG22 HG13 ' A' ' 7' ' ' VAL . 67.8 t -144.44 140.24 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.78 155.8 47.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.773 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 106.33 172.05 23.12 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 156.58 -156.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.336 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.49 -3.13 6.67 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.508 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 4.0 tp 51.91 68.32 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.756 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.742 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -94.55 -85.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.24 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 158.14 99.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 44.63 38.04 5.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.675 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 7.1 m -109.27 155.3 21.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 110.458 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.8 147.78 48.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.743 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 6.3 m-85 -146.4 78.21 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' SER . 2.4 t70 -55.65 119.96 6.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.649 HG21 ' HB3' ' A' ' 53' ' ' SER . 46.2 t -55.56 157.48 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.487 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -122.65 -72.69 0.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 111.057 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.1 tp60 69.91 106.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 0.783 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.592 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 49.0 m -127.53 179.09 5.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 108.328 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.745 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . -124.75 77.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -65.94 103.89 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.052 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.077 HG22 ' HB1' ' A' ' 91' ' ' ALA . 4.0 t -109.0 -129.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.474 ' H ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -55.1 -174.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.5 m -72.52 90.94 1.36 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.5 -7.58 36.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.568 1.167 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.968 HG13 ' CZ2' ' A' ' 83' ' ' TRP . 24.6 t -89.55 54.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.786 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.692 ' O ' HD23 ' A' ' 45' ' ' LEU . 3.6 tt -98.76 100.67 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.745 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . . . -85.11 92.25 8.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.592 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -67.82 160.64 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 108.323 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 63.6 t30 -114.16 83.12 7.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.473 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.1 30.45 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.658 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . . . -135.72 8.24 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.527 ' C ' ' H ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -55.68 -56.39 20.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.658 ' CE1' ' HA ' ' A' ' 50' ' ' ALA . 11.2 m-85 70.18 -40.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.649 ' HB3' HG21 ' A' ' 34' ' ' VAL . 1.5 m -38.62 152.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.051 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.7 p -148.98 141.27 24.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 110.054 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.685 HG23 ' HB ' ' A' ' 65' ' ' THR . 10.6 p -132.26 172.86 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.576 ' H ' HG22 ' A' ' 55' ' ' VAL . 2.0 m -122.31 150.08 42.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.427 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.743 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -81.86 164.26 21.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.637 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.8 p30 -123.71 121.13 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.75 -89.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.637 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.5 m-20 -36.57 -44.99 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.557 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 123.18 8.71 6.41 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -88.01 132.54 34.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.978 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.773 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -57.69 165.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 65' ' ' THR . 4.7 p -169.12 99.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.17 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.685 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 179.33 171.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 110.336 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 60.2 p -81.66 112.68 19.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.097 . . . . 0.0 110.049 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.735 HD11 HD11 ' A' ' 97' ' ' LEU . 6.2 mt -107.06 148.91 28.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.824 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -84.74 106.96 16.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.018 HG11 HD12 ' A' ' 13' ' ' LEU . 5.2 t -81.29 64.57 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.824 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.1 OUTLIER -51.84 144.62 11.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.589 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 5.7 ttp180 -118.81 -76.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -77.12 97.13 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.452 ' O ' HG12 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -150.89 -177.06 5.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 111.014 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.477 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 3.1 pm0 -110.48 117.63 34.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.687 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -107.73 162.83 13.11 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 13.3 m-85 -115.55 133.09 56.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 0.802 . . . . 0.0 111.076 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.611 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 13.4 mt -42.45 -60.43 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.507 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.968 ' CZ2' HG13 ' A' ' 44' ' ' VAL . 90.4 m95 -88.77 -60.21 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 108.047 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.642 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 95.97 154.34 30.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.782 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 13.43 75.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 110.377 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 73' ' ' PHE . 8.7 p -123.07 143.38 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.423 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -82.23 116.16 21.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.644 ' HB3' ' CE1' ' A' ' 112' ' ' PHE . 2.5 m -63.83 -43.97 94.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.0 t -51.72 -20.87 2.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.188 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 17.9 m -87.59 -16.51 34.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.454 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.077 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -128.21 16.34 6.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 35.35 66.11 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 55.5 m -53.21 176.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 108.266 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.446 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 16.9 pm0 -141.49 154.9 45.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.64 ' O ' HG13 ' A' ' 95' ' ' VAL . 8.1 p -120.99 101.16 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.19 165.37 12.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.735 HD11 HD11 ' A' ' 67' ' ' LEU . 1.7 mm? -104.78 142.64 34.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 0.773 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -119.72 143.25 47.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.99 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.96 147.84 50.29 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -160.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 59.93 -173.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.214 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 5' ' ' ALA . . . 176.61 -53.37 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' A' ' 6' ' ' THR . 1.5 p -179.96 120.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.787 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.16 112.72 23.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.951 HG21 HD11 ' A' ' 13' ' ' LEU . 5.0 mt -114.14 153.47 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.645 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -98.47 123.27 42.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.963 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.955 ' CE2' HG12 ' A' ' 69' ' ' VAL . 5.9 m-85 -90.64 126.84 36.09 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.493 ' H ' ' N ' ' A' ' 13' ' ' LEU . 1.2 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.635 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HB2' ' HB3' ' A' ' 97' ' ' LEU . . . -103.06 161.73 13.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.826 ' O ' HG13 ' A' ' 21' ' ' VAL . 19.2 p -150.4 158.56 44.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.961 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -95.05 131.5 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.512 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.39 -57.11 1.18 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.961 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.07 -160.3 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.723 ' HA ' HD13 ' A' ' 110' ' ' ILE . 89.4 p -155.3 26.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.986 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.613 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -165.58 56.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.965 ' CA ' HG21 ' A' ' 17' ' ' THR . . . -43.19 -25.08 0.37 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.547 1.154 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 11' ' ' SER . 1.1 mt 41.45 -88.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.617 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -33.86 118.6 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.144 . . . . 0.0 110.043 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.507 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 5.6 p-10 -60.56 110.04 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 109.367 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.2 30.07 15.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.965 HG21 ' CA ' ' A' ' 12' ' ' GLY . 6.2 t -70.38 94.74 0.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 110.429 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.527 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.7 t -77.29 94.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.622 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 16.7 m -111.32 179.28 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -69.49 140.4 53.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.343 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.83 HG11 HD22 ' A' ' 67' ' ' LEU . 75.6 t -142.31 140.49 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.27 155.69 45.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.936 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 107.83 176.12 22.3 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.94 -161.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.94 -2.26 4.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.518 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.1 tp 49.61 62.14 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.511 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 4.5 tp60 -92.57 -102.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.427 ' N ' ' CG ' ' A' ' 27' ' ' GLN . . . -176.0 95.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.413 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 50.54 19.79 3.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.482 ' CB ' ' HG2' ' A' ' 27' ' ' GLN . 1.0 OUTLIER -81.34 158.48 24.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 110.393 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.69 148.43 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.76 ' CD1' HD23 ' A' ' 97' ' ' LEU . 2.1 m-85 -143.83 80.23 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.088 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 98' ' ' SER . 0.4 OUTLIER -51.15 115.64 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.578 HG22 HD21 ' A' ' 67' ' ' LEU . 45.7 t -58.7 146.55 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -128.56 -166.45 11.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.579 1.174 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 170.04 113.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 4.7 m -128.26 170.79 12.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 108.289 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.691 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . . . -139.73 125.89 19.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.43 125.43 40.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 108.018 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.477 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 39.9 t -109.44 -28.28 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.427 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER 179.33 175.16 0.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.1 m -56.68 89.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.54 -11.8 39.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 2.3 t -95.1 42.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.885 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -99.18 104.77 16.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.398 1.061 . . . . 0.0 109.363 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.719 ' CB ' ' CD1' ' A' ' 83' ' ' TRP . . . -94.77 116.17 28.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.444 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 0.5 OUTLIER -84.83 163.11 19.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 108.276 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 33.3 t30 -113.73 88.26 13.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.595 1.184 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.1 Cg_endo -74.97 38.17 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -134.1 3.76 3.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.6 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -43.33 -52.08 6.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 16.8 m-85 62.8 -57.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.6 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.3 m -30.63 146.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.951 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.0 p -141.98 136.81 30.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.509 HG22 ' N ' ' A' ' 56' ' ' THR . 2.6 p -126.09 165.92 23.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.509 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.1 m -123.38 151.2 42.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.457 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -80.91 170.2 16.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.9 p30 -129.84 120.09 24.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.33 -89.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.621 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.8 m-20 -36.24 -46.02 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.518 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 127.11 2.08 6.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.96 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.469 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 34.1 t -79.74 136.82 36.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.756 . . . . 0.0 110.034 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.936 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -76.26 154.23 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' A' ' 65' ' ' THR . 39.2 m -155.89 107.38 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.485 ' CG2' ' CD1' ' A' ' 67' ' ' LEU . 1.6 t -178.18 178.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.4 m -93.14 122.8 35.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.83 HD22 HG11 ' A' ' 21' ' ' VAL . 6.8 mp -114.57 147.05 40.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.363 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.91 HG23 ' NE ' ' A' ' 70' ' ' ARG . 4.5 t -89.19 116.46 27.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.145 HG12 ' CE2' ' A' ' 112' ' ' PHE . 1.5 t -87.15 60.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.91 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.3 OUTLIER -38.72 133.34 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.243 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.507 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 1.6 ttp180 -89.14 -58.87 2.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 85.0 p -120.81 141.64 50.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.055 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.509 ' CD1' ' OD1' ' A' ' 48' ' ' ASN . 12.4 p90 -175.75 -173.81 0.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.425 ' HB2' ' N ' ' A' ' 85' ' ' THR . 0.7 OUTLIER -109.49 142.22 40.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 83' ' ' TRP . . . -147.74 -160.83 9.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.64 ' CZ ' ' CB ' ' A' ' 82' ' ' ARG . 1.4 m-85 -145.75 141.21 27.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 12.4 mt -63.94 -51.47 64.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.0 t80 . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.64 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.719 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -94.13 -155.56 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 107.98 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -168.57 170.95 42.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.469 ' HA ' ' C ' ' A' ' 73' ' ' PHE . 22.8 m -62.79 75.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.377 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 84' ' ' GLY . 6.0 p -110.02 166.76 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.232 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.95 118.99 20.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -77.31 -33.2 55.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 108.283 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.752 HG21 ' C ' ' A' ' 113' ' ' ASN . 1.2 t -50.37 -29.94 11.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -25.32 64.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -119.27 14.97 13.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 36.84 72.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.691 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 19.1 p -55.77 -169.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 108.284 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.486 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 0.7 OUTLIER -148.38 154.83 40.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.906 ' O ' HG12 ' A' ' 108' ' ' VAL . 8.5 p -131.76 128.9 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -148.5 -177.62 22.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.57 1.169 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.815 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -79.84 146.76 32.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 0.721 . . . . 0.0 109.318 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.815 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -137.7 122.12 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.589 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.589 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 96.88 170.59 33.98 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.34 4.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -166.99 34.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.25 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.404 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -80.96 176.91 54.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.906 HG12 ' O ' ' A' ' 95' ' ' VAL . 7.3 p -105.39 121.79 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.6 113.0 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 1.047 HG21 HG11 ' A' ' 69' ' ' VAL . 0.8 OUTLIER -116.89 149.0 19.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.453 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 6.3 m -89.1 92.8 9.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.145 ' CE2' HG12 ' A' ' 69' ' ' VAL . 37.7 m-85 -87.09 165.66 15.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.752 ' C ' HG21 ' A' ' 89' ' ' THR . 12.0 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.472 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -101.31 161.98 13.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.472 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 1.7 p -151.94 161.03 43.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.903 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.5 t -117.7 139.9 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.368 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.513 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -37.2 -57.27 1.38 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.452 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.903 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.97 -165.49 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.44 18.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.509 ' CA ' ' O ' ' A' ' 111' ' ' SER . 59.9 p -152.5 114.11 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.036 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.657 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -78.19 6.31 50.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.657 ' C ' ' O ' ' A' ' 12' ' ' GLY . 12.5 mt -15.75 -58.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.6 OUTLIER -72.61 101.35 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.417 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 11.9 p-10 -49.55 101.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.611 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 100.49 34.38 4.76 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.474 ' O ' HG22 ' A' ' 17' ' ' THR . 1.2 m -65.2 86.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 16' ' ' GLY . 8.5 t -77.59 96.78 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.813 HG21 ' CG ' ' A' ' 9' ' ' PRO . 33.4 m -125.41 -176.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 65' ' ' THR . 73.1 mttt -72.03 148.89 45.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.358 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.883 HG21 ' HB2' ' A' ' 67' ' ' LEU . 3.4 t -139.1 138.71 41.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -135.23 149.61 49.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.801 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 103.81 -176.57 24.0 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 149.32 -157.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 0.747 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.35 -1.45 4.37 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.5 OUTLIER 44.46 66.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.588 0.816 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.543 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.1 tp60 -87.71 -105.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 172.57 77.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.52 52.01 6.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.42 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -123.56 164.21 19.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 110.401 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.42 ' N ' ' CG2' ' A' ' 30' ' ' THR . . . -78.48 149.3 33.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.925 ' O ' HD12 ' A' ' 97' ' ' LEU . 2.9 m-85 -140.08 75.66 1.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.479 ' HA ' ' CB ' ' A' ' 54' ' ' SER . 0.3 OUTLIER -62.7 115.3 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.234 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.782 HG21 ' CB ' ' A' ' 53' ' ' SER . 73.5 t -39.47 150.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.597 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -130.51 -86.19 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.607 ' CD ' HG22 ' A' ' 95' ' ' VAL . 0.5 OUTLIER 75.28 116.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.571 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 48.3 m -128.01 177.49 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.48 ' HB2' ' HZ ' ' A' ' 73' ' ' PHE . . . -122.37 137.83 54.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.224 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.865 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -102.2 110.8 22.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.604 HG12 ' N ' ' A' ' 41' ' ' ASP . 58.0 t -90.23 -114.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.604 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.2 t0 -92.37 36.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 69.72 -58.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.397 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.45 ' N ' HG22 ' A' ' 42' ' ' THR . . . -66.53 -9.8 51.86 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.071 HG13 HD11 ' A' ' 77' ' ' LEU . 22.1 t -127.62 123.91 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tt -126.59 121.46 32.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HB1' ' HA3' ' A' ' 75' ' ' GLY . . . -104.14 92.74 4.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.571 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -66.26 165.18 14.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 108.31 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.613 ' ND2' ' CG ' ' A' ' 73' ' ' PHE . 11.0 t-20 -114.64 85.86 11.93 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.97 39.57 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -134.82 2.85 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.435 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -41.96 -55.15 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 68.07 -49.61 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.782 ' CB ' HG21 ' A' ' 34' ' ' VAL . 30.3 m -50.88 158.59 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.986 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 96.7 p -166.33 138.87 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.877 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.5 p -137.88 -155.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.71 ' N ' HG13 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -143.21 168.93 18.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.496 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.495 ' N ' ' CG2' ' A' ' 56' ' ' THR . . . -72.35 -170.43 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.688 ' O ' ' N ' ' A' ' 60' ' ' ASN . 57.1 p30 -145.85 134.58 22.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.685 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -12.3 80.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.688 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.4 t30 151.29 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.553 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 122.22 -11.47 9.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.126 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -76.48 139.2 40.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.041 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -84.1 158.23 21.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.532 ' O ' ' HB ' ' A' ' 65' ' ' THR . 4.6 m -159.21 126.71 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.877 ' HB ' HG21 ' A' ' 55' ' ' VAL . 1.0 OUTLIER 171.35 -115.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.447 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.583 ' N ' ' OG1' ' A' ' 65' ' ' THR . 74.2 m -161.81 137.85 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 110.0 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.883 ' HB2' HG21 ' A' ' 21' ' ' VAL . 7.0 mp -122.74 163.02 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.631 HG23 ' NE ' ' A' ' 70' ' ' ARG . 2.2 t -100.22 97.73 8.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.09 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.7 t -72.13 65.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.631 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -64.24 124.94 23.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.547 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 14.5 ttp180 -79.2 -73.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.185 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.5 t -90.36 118.48 29.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.04 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.613 ' CG ' ' ND2' ' A' ' 48' ' ' ASN . 22.1 p90 -156.01 -177.87 6.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.6 OUTLIER -89.66 104.19 16.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.7 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -84.12 149.93 25.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.501 ' CG ' ' HG3' ' A' ' 82' ' ' ARG . 20.1 m-85 -129.4 126.64 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.071 HD11 HG13 ' A' ' 44' ' ' VAL . 1.6 mm? -55.06 -44.95 75.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.581 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.6 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 111.051 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HG3' ' CG ' ' A' ' 76' ' ' PHE . 5.0 ttt180 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.643 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 8.9 m95 -68.17 -74.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.594 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 87.84 145.02 9.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.758 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 20.09 80.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 110.339 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -144.18 144.64 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' A' ' 90' ' ' THR . 2.3 m-20 -75.77 109.19 9.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -68.15 -30.22 69.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 108.271 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.473 HG21 ' HD2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -50.69 -22.72 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.429 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -75.44 -22.59 57.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.865 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -127.69 14.45 6.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 39.12 90.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.652 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 1.7 p -69.65 -173.95 0.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 108.353 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 19.2 pm0 -142.38 142.98 32.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.231 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 108' ' ' VAL . 83.8 t -107.46 133.93 50.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -159.46 168.03 35.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.583 1.177 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 32' ' ' TYR . 2.7 mm? -88.04 144.83 26.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 0.734 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -119.95 113.15 20.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.423 ' OD1' ' CB ' ' A' ' 103' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.423 ' CB ' ' OD1' ' A' ' 99' ' ' ASP . 1.3 m120 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.465 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 47.03 60.72 4.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.465 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.5 Cg_endo -74.87 -164.89 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.467 1.772 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.37 60.82 0.16 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 110.27 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -51.88 -100.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.665 HG11 HG23 ' A' ' 7' ' ' VAL . 12.9 p -159.71 123.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 0.736 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.44 109.77 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.913 HG21 HG11 ' A' ' 69' ' ' VAL . 11.1 mt -109.5 144.54 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.509 ' O ' ' CA ' ' A' ' 11' ' ' SER . 33.5 m -86.81 97.93 10.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.09 ' CE2' HG12 ' A' ' 69' ' ' VAL . 49.5 m-85 -89.02 19.73 4.01 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.576 1.172 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.217 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.716 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . -103.97 152.9 21.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.921 ' O ' HG13 ' A' ' 21' ' ' VAL . 2.5 p -153.08 162.61 41.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.04 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.6 t -110.99 133.79 55.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.609 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.76 -61.86 0.6 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.04 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.99 -90.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.435 1.756 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.62 ' HA ' HG23 ' A' ' 110' ' ' ILE . 1.4 p 89.64 13.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.6 p -161.76 136.26 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.0 36.2 60.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.849 HD12 HG21 ' A' ' 110' ' ' ILE . 12.9 mt -94.34 -147.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.488 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -158.87 167.51 29.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.998 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.435 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 29.1 t0 -62.57 96.54 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.471 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 97.16 33.23 6.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.723 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.6 m -76.48 88.26 3.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.655 HG12 ' HB2' ' A' ' 66' ' ' SER . 3.9 t -71.34 91.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.625 HG22 ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -111.08 166.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -61.57 133.42 55.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.921 HG13 ' O ' ' A' ' 6' ' ' THR . 84.4 t -137.52 141.74 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.87 156.34 45.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.823 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 108.85 178.41 21.59 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 111.048 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 149.39 -162.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.02 -7.2 2.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.603 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.6 OUTLIER 52.1 68.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.751 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.4 mp0 -88.35 -95.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.751 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 156.51 73.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.81 67.05 1.61 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.58 1.175 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.4 HG22 ' CE2' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -151.92 156.51 40.23 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.465 0.744 . . . . 0.0 110.324 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.92 154.79 38.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.748 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 9.9 m-85 -148.94 80.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -50.77 126.41 15.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.826 HG21 HD22 ' A' ' 67' ' ' LEU . 50.8 t -71.14 156.09 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -131.62 -168.31 12.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.3 111.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.294 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 6.8 m -118.07 179.33 4.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.353 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.688 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -135.05 160.93 36.77 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.489 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -99.29 125.19 44.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 107.998 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.853 HG11 ' CD2' ' A' ' 83' ' ' TRP . 2.4 t -113.46 -134.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.461 ' H ' HG12 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -52.33 -175.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.4 m -76.22 89.11 3.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.417 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.25 -6.06 28.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.814 HG11 ' CH2' ' A' ' 83' ' ' TRP . 43.4 t -91.01 127.94 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.937 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -123.47 137.29 54.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.654 ' HB2' ' NE1' ' A' ' 83' ' ' TRP . . . -120.05 100.09 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.504 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.3 m -79.05 153.18 30.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.595 1.184 . . . . 0.0 108.323 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 50' ' ' ALA . 63.7 t30 -110.74 93.8 17.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.15 36.17 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -131.29 2.33 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -43.09 -51.08 6.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.475 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 70.21 -54.1 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 111.07 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.488 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 5.5 m -32.89 148.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.7 p -151.86 141.99 22.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 110.001 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.66 ' CG1' HD11 ' A' ' 97' ' ' LEU . 2.1 p -136.72 168.76 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.551 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.2 m -122.4 148.63 44.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.415 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.748 ' HB2' ' HE2' ' A' ' 32' ' ' TYR . . . -60.89 175.06 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.696 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.6 p30 -134.67 135.6 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.696 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -8.42 80.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.646 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.5 t30 149.41 -39.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.669 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 121.7 -2.0 11.07 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.592 1.182 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.522 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -84.23 125.35 32.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 110.059 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -63.61 161.64 14.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 65' ' ' THR . 99.8 p -163.65 109.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.529 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 177.12 170.86 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.655 ' HB2' HG12 ' A' ' 18' ' ' VAL . 87.2 p -84.46 115.92 22.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.826 HD22 HG21 ' A' ' 34' ' ' VAL . 9.2 mt -104.86 137.58 42.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.381 1.05 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.865 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -76.73 107.66 9.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.018 HG11 HG21 ' A' ' 110' ' ' ILE . 10.0 t -77.59 61.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.865 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.5 OUTLIER -47.02 142.14 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.594 ' HB2' ' CG ' ' A' ' 112' ' ' PHE . 8.2 ttm180 -119.54 -79.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 20.7 p -71.64 118.15 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.656 ' CG ' ' N ' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -178.85 -165.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.656 ' N ' ' CG ' ' A' ' 73' ' ' PHE . 11.3 pt-20 -128.84 120.11 25.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.498 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -99.36 146.3 17.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.128 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.501 ' CE2' ' HD3' ' A' ' 82' ' ' ARG . 10.1 m-85 -111.13 136.37 50.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.76 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.937 HD23 ' O ' ' A' ' 45' ' ' LEU . 15.2 mt -47.49 -66.83 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.231 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.486 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HD3' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.853 ' CD2' HG11 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -154.08 -85.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 108.007 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 83' ' ' TRP . . . 26.47 -96.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.741 ' O ' HG23 ' A' ' 85' ' ' THR . 1.2 t 35.65 36.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -167.58 -175.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.558 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -74.13 117.41 15.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.611 ' O ' ' N ' ' A' ' 92' ' ' ALA . 1.8 m -57.95 -33.64 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 108.291 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.475 HG22 ' CB ' ' A' ' 87' ' ' ASP . 9.5 t -46.6 -22.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -79.75 -22.51 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -118.73 -6.67 10.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.611 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 58.58 64.83 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.688 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 6.0 m -49.48 176.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 108.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.655 ' NE2' HD11 ' A' ' 45' ' ' LEU . 13.5 pm0 -140.04 147.41 40.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.668 ' O ' HG12 ' A' ' 108' ' ' VAL . 7.6 p -125.5 112.43 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -121.03 -179.21 16.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.366 1.041 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.716 HD23 ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -100.15 152.2 20.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -132.69 116.34 16.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.241 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.685 ' N ' HD21 ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 143.81 -173.99 24.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.96 3.68 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.55 1.816 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.24 36.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.82 174.88 48.14 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.568 1.168 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 95' ' ' VAL . 8.2 p -101.99 116.65 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 109.194 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.37 108.69 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 1.018 HG21 HG11 ' A' ' 69' ' ' VAL . 84.1 mt -109.32 148.41 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.7 m -106.96 106.21 16.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.906 ' CE2' HG12 ' A' ' 69' ' ' VAL . 1.6 m-85 -80.72 121.4 25.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' LEU . 35.8 t30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.424 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.478 ' HB1' HD22 ' A' ' 97' ' ' LEU . . . -73.61 143.65 46.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.94 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.8 p -149.48 151.95 34.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.966 HG13 HG22 ' A' ' 21' ' ' VAL . 3.2 t -123.41 147.3 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.515 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -41.77 -57.57 3.91 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.963 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.89 -151.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.78 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.4 ' H ' ' HB2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER 171.51 -11.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.047 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.552 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 95.4 p -179.18 153.91 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.75 42.86 99.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.018 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.852 HD21 HG23 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -105.07 -169.87 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 0.738 . . . . 0.0 109.283 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.95 160.04 20.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.585 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 6.0 p-10 -62.04 119.8 9.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.678 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 76.69 31.78 52.7 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.157 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.664 ' O ' HG23 ' A' ' 69' ' ' VAL . 1.2 m -57.3 85.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 16' ' ' GLY . 3.5 t -75.09 88.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.85 HG21 ' HD3' ' A' ' 9' ' ' PRO . 34.4 m -119.26 -179.84 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 145.56 50.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.966 HG22 HG13 ' A' ' 7' ' ' VAL . 54.3 t -142.4 140.51 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.52 161.19 38.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.864 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 95.01 -175.73 33.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 111.056 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.774 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 147.09 -157.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 0.801 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.07 -3.29 4.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.527 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 46.71 60.1 3.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.219 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.636 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 10.8 tt0 -79.95 -97.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.231 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 166.72 100.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.55 33.47 12.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.786 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 53.4 m -108.94 159.68 16.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 0.73 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.59 148.35 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 3.4 m-85 -146.21 76.82 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.07 129.66 38.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.598 HG11 ' HG ' ' A' ' 67' ' ' LEU . 33.6 t -67.21 149.57 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.642 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -135.84 177.48 19.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.619 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -172.56 107.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.37 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.534 ' O ' ' HB3' ' A' ' 93' ' ' CYS . 5.5 m -118.49 169.53 9.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.252 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.554 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -131.71 147.63 52.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.608 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -94.57 121.44 36.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.014 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.636 HG21 ' NE1' ' A' ' 83' ' ' TRP . 89.2 t -92.7 -111.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.633 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.9 t0 -90.36 41.4 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.542 ' HA ' ' CD1' ' A' ' 39' ' ' TRP . 0.9 OUTLIER 67.08 -64.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -69.39 -8.18 58.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.627 HG13 HD11 ' A' ' 77' ' ' LEU . 40.9 t -121.97 129.82 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.443 0.731 . . . . 0.0 109.347 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.44 132.8 47.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.553 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -113.21 102.22 10.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -80.05 158.0 26.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 108.316 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 31.7 t30 -112.3 91.45 16.41 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -75.0 38.38 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.562 1.822 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.96 3.19 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.522 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -41.13 -49.35 3.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.31 -58.23 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.583 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 1.9 m -34.49 150.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 t -149.33 144.66 26.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.608 HG23 ' HB ' ' A' ' 65' ' ' THR . 7.7 p -139.05 169.87 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.563 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.4 m -121.47 160.32 24.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.366 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.942 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -89.33 148.2 23.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.2 p30 -112.38 119.62 38.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 37.19 -92.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.0 m-20 -43.63 -43.31 5.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.942 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 125.42 6.38 6.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.506 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.5 m -73.28 128.31 35.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.948 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.864 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -72.1 156.92 38.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.437 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 78.2 p -155.01 107.21 2.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.079 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.608 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.79 172.68 1.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.373 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.55 ' O ' HD12 ' A' ' 67' ' ' LEU . 15.7 m -90.38 132.23 35.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.957 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.86 HD22 HG11 ' A' ' 21' ' ' VAL . 6.9 mp -119.68 143.34 47.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.647 ' HB ' HG22 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -92.03 97.7 11.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.415 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.169 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.3 t -67.69 67.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.56 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -54.79 119.1 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 110.33 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.585 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 1.2 ttt180 -80.69 -77.28 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.2 p -79.86 99.07 7.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -143.24 154.92 44.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.415 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.9 OUTLIER -79.73 121.38 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.15 151.08 17.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.47 ' CE2' ' C ' ' A' ' 78' ' ' PHE . 29.3 t80 -132.9 140.64 47.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.634 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -43.07 -62.65 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.636 ' NE1' HG21 ' A' ' 40' ' ' VAL . 39.6 m95 -100.27 -69.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.737 ' O ' HG23 ' A' ' 86' ' ' VAL . . . 92.72 165.0 38.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 18.07 78.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.735 . . . . 0.0 110.426 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 84' ' ' GLY . 54.0 t -114.92 127.01 72.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.424 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -79.97 106.66 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.359 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.731 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . 1.7 m -53.25 -23.16 8.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 108.228 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.531 HG23 ' CG ' ' A' ' 71' ' ' ARG . 16.3 p -77.72 5.86 8.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.1 m -119.69 -15.23 8.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -141.3 13.26 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 27.97 72.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 4.1 m -52.15 -177.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.297 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.472 ' CG ' ' HA3' ' A' ' 107' ' ' GLY . 14.6 pm0 -140.48 149.75 42.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.88 HG12 HD12 ' A' ' 110' ' ' ILE . 10.9 p -123.88 117.02 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -131.48 167.59 22.52 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.478 HD22 ' HB1' ' A' ' 5' ' ' ALA . 2.0 mm? -88.86 143.72 26.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 0.748 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.408 ' OG ' ' HB3' ' A' ' 103' ' ' ASN . 0.2 OUTLIER -122.07 130.42 53.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.682 ' N ' HD21 ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 138.83 -161.67 25.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.469 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.05 111.33 3.3 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.427 1.751 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.3 OUTLIER 169.45 42.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.472 ' HA3' ' CG ' ' A' ' 94' ' ' GLN . . . -76.01 174.1 53.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.552 HG12 HG13 ' A' ' 110' ' ' ILE . 87.4 t -93.43 103.28 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.94 101.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.88 HD12 HG12 ' A' ' 95' ' ' VAL . 54.8 mt -111.73 147.98 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.552 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -99.22 108.86 21.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.169 ' CE2' HG12 ' A' ' 69' ' ' VAL . 14.4 m-85 -90.75 132.7 35.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 112' ' ' PHE . 3.9 t30 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.416 ' O ' ' CG2' ' A' ' 108' ' ' VAL . . . -94.37 170.48 9.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.359 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.896 ' O ' HG13 ' A' ' 21' ' ' VAL . 68.3 p -148.25 152.88 37.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.774 HG21 HD11 ' A' ' 110' ' ' ILE . 22.5 t -100.99 124.48 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.773 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -31.35 -70.33 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.147 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.773 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.04 -90.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 3.9 p 92.43 20.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.414 ' O ' HD23 ' A' ' 13' ' ' LEU . 98.2 p -158.68 141.01 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.55 42.26 93.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.1 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.942 ' HB3' HG21 ' A' ' 17' ' ' THR . 6.6 mt -82.65 -146.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 0.74 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.28 166.64 16.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.569 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 18.5 p-10 -63.3 97.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.489 ' H ' ' HA ' ' A' ' 70' ' ' ARG . . . 97.33 35.78 5.12 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.942 HG21 ' HB3' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -71.84 89.04 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 0.775 . . . . 0.0 110.409 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.548 HG22 ' HB ' ' A' ' 68' ' ' THR . 10.8 t -79.87 87.11 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.467 ' CG2' HG13 ' A' ' 7' ' ' VAL . 19.6 m -107.3 -178.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -85.0 133.79 34.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 6' ' ' THR . 41.1 t -129.1 135.69 61.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.46 155.67 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.848 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 103.79 175.25 25.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.784 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 152.45 -158.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 0.806 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.705 ' N ' HD22 ' A' ' 97' ' ' LEU . . . -61.92 -3.12 4.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.572 1.17 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.539 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.2 tp 51.03 59.62 4.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.553 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 16.0 mm-40 -85.4 -98.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 175.1 96.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.215 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.53 21.21 6.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.42 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 18.8 m -84.58 163.79 19.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 0.753 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.56 146.22 29.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.96 ' CD1' HD13 ' A' ' 97' ' ' LEU . 4.4 m-85 -142.78 77.42 1.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -43.22 118.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.577 HG21 ' HG ' ' A' ' 67' ' ' LEU . 54.1 t -59.19 138.81 19.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -134.22 148.19 19.37 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.814 ' HG3' HG23 ' A' ' 95' ' ' VAL . 1.1 mt-30 -141.23 121.41 13.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.609 0.829 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 12.2 m -127.72 178.48 6.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 108.257 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 1.031 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -149.3 136.38 19.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.415 ' HD1' HD12 ' A' ' 45' ' ' LEU . 23.6 t90 -86.19 127.72 34.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 107.994 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.716 HG22 ' NE1' ' A' ' 83' ' ' TRP . 13.1 t -103.79 -123.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.485 ' HB3' HG23 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -56.21 -161.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.8 m -67.46 -51.13 55.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.46 37.12 3.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.438 1.086 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.618 HG13 HD11 ' A' ' 77' ' ' LEU . 11.6 t -130.71 119.28 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.415 HD12 ' HD1' ' A' ' 39' ' ' TRP . 1.8 tt -133.97 123.04 23.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.69 ' HB3' ' HD1' ' A' ' 83' ' ' TRP . . . -105.53 114.4 28.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 1.3 m -87.27 165.44 15.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 108.267 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 21.7 t-20 -115.8 84.37 12.84 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.08 42.62 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.96 1.03 3.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.454 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -48.31 -58.45 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.452 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 69.4 -50.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.5 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 1.0 OUTLIER -35.0 153.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.4 p -141.38 130.26 23.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.989 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.924 HG23 ' CG2' ' A' ' 65' ' ' THR . 1.2 p -112.32 154.26 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.5 m -113.92 149.16 35.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.385 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -83.87 166.72 17.67 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.603 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.3 p30 -125.91 120.36 30.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.521 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.55 -90.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.603 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.8 m-20 -35.99 -45.8 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.539 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.87 2.43 6.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.436 1.085 . . . . 0.0 110.973 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 39.8 m -78.88 133.11 36.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.848 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -66.27 164.26 16.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 65' ' ' THR . 35.5 p -172.79 107.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.924 ' CG2' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.07 -176.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.625 ' O ' HD12 ' A' ' 67' ' ' LEU . 25.5 p -92.48 128.35 38.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 66' ' ' SER . 2.4 mp -123.27 137.83 54.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.548 ' HB ' HG22 ' A' ' 18' ' ' VAL . 1.4 t -87.84 89.8 8.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.34 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.815 ' HB ' HG23 ' A' ' 17' ' ' THR . 8.6 t -74.77 68.5 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.604 ' HG2' ' OE1' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -42.18 158.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.797 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 4.0 ttt180 -103.01 -62.65 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.452 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 53.0 p -111.44 144.45 40.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.942 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.6 ' CE2' ' SG ' ' A' ' 88' ' ' CYS . 49.2 p90 -177.18 -168.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.605 1.191 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.419 ' HA ' ' C ' ' A' ' 84' ' ' GLY . 0.6 OUTLIER -100.15 114.12 27.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 110.271 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.35 158.63 17.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -141.0 142.55 34.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 0.76 . . . . 0.0 111.038 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.618 HD11 HG13 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -69.53 -46.32 66.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.609 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.7 t80 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 13.0 ptt85 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.716 ' NE1' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -71.28 -80.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.013 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 129.96 165.47 11.63 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 85' ' ' THR . 1.1 m -67.31 68.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 110.466 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.52 HG22 ' H ' ' A' ' 87' ' ' ASP . 6.5 p -128.54 171.32 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.52 ' H ' HG22 ' A' ' 86' ' ' VAL . 11.3 m-20 -57.65 145.29 34.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.798 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -103.57 -30.39 10.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 108.332 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.491 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -49.56 -33.76 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -23.7 64.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -107.05 24.28 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 38.14 59.19 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 1.031 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -51.11 -179.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 108.223 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 9.0 pm0 -162.12 156.14 21.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.814 HG23 ' HG3' ' A' ' 36' ' ' GLN . 7.5 p -132.3 112.74 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.185 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.435 ' CA ' ' HG2' ' A' ' 106' ' ' GLU . . . -128.88 -169.12 12.53 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.561 1.163 . . . . 0.0 110.934 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.96 HD13 ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.54 147.94 30.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -146.0 97.92 3.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 110.039 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.26 -162.93 26.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.425 1.078 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.52 35.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.444 1.76 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.435 ' HG2' ' CA ' ' A' ' 96' ' ' GLY . 59.5 mp0 -96.08 -89.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.335 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 125.2 -2.7 8.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.546 HG11 ' O ' ' A' ' 95' ' ' VAL . 75.4 t -75.72 68.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.1 113.06 3.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.81 HD13 HG11 ' A' ' 69' ' ' VAL . 66.8 mt -114.51 158.37 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.04 96.31 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.071 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.797 ' CD2' ' HA ' ' A' ' 71' ' ' ARG . 5.8 m-30 -74.76 123.68 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.489 ' C ' ' N ' ' A' ' 24' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.886 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . . . -90.5 125.4 35.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.735 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.9 p -135.79 160.3 38.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.802 HG22 HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -104.99 127.7 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.351 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.619 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.03 -62.8 0.35 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.402 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.933 ' HG2' HG21 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.0 178.98 6.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.53 1.805 . . . . 0.0 110.96 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.475 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 21.4 t -177.43 27.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.025 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.583 ' O ' HD23 ' A' ' 13' ' ' LEU . 7.3 p 172.14 160.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.22 28.33 58.68 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.761 HD12 HG21 ' A' ' 110' ' ' ILE . 7.7 mt -90.95 -145.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.444 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.9 t -158.2 159.66 36.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.525 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 6.5 p-10 -57.17 103.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.435 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 94.3 34.61 6.32 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.505 1.128 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.687 HG21 ' HB3' ' A' ' 13' ' ' LEU . 1.3 m -70.45 88.23 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.74 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.0 t -73.99 83.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.933 HG21 ' HG2' ' A' ' 9' ' ' PRO . 5.4 m -97.93 -178.82 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -86.42 135.26 33.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 6' ' ' THR . 10.2 p -124.92 134.43 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -135.95 149.78 49.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.937 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 106.38 -179.2 22.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 150.8 -158.83 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.566 0.803 . . . . 0.0 109.407 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.32 -2.11 9.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.564 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.8 tp 46.18 69.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.285 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.658 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.4 tp60 -97.56 -82.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 165.22 84.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.603 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 59.64 12.47 19.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.607 1.192 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.4 m -72.8 152.57 41.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 0.743 . . . . 0.0 110.423 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.506 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -63.0 147.67 49.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.767 ' HB3' HD21 ' A' ' 97' ' ' LEU . 3.1 m-30 -146.13 77.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.4 OUTLIER -47.37 131.65 13.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.723 HG13 HD11 ' A' ' 67' ' ' LEU . 52.8 t -75.49 151.01 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.452 1.095 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -119.24 -160.98 11.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.125 . . . . 0.0 111.057 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.612 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 5.3 tp60 155.26 99.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.529 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 55.7 m -122.49 -174.68 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.927 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . -135.38 82.51 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.836 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -68.8 116.82 9.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 107.987 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.047 HG22 ' HB1' ' A' ' 91' ' ' ALA . 24.2 t -115.4 -31.59 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.406 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -178.81 176.52 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.3 m -56.92 91.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.03 -11.15 44.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.482 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 2.4 t -97.59 40.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.478 0.752 . . . . 0.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.836 HD12 ' HB2' ' A' ' 39' ' ' TRP . 8.1 tt -100.48 96.62 7.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.964 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -73.78 89.94 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.529 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -76.34 142.54 41.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.718 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 5.4 t-20 -114.69 90.76 23.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 39.36 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -130.12 1.55 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 1.1 p30 -42.85 -51.2 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 18.3 m-30 67.2 -46.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.19 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.569 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.3 m -34.92 155.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.06 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.7 t -153.16 146.32 24.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.728 ' HB ' HG21 ' A' ' 65' ' ' THR . 1.9 p -135.6 159.9 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -123.57 141.59 51.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.621 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -66.38 177.24 1.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.226 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 60' ' ' ASN . 11.3 p30 -136.0 122.73 21.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.19 -89.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.633 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -39.11 -47.13 1.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.588 1.18 . . . . 0.0 109.337 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.621 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 131.97 -3.98 5.31 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.512 1.133 . . . . 0.0 111.061 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.469 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -73.67 139.8 45.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 0.735 . . . . 0.0 109.985 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.937 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -80.16 156.99 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' A' ' 65' ' ' THR . 1.4 m -159.58 117.3 2.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.728 HG21 ' HB ' ' A' ' 55' ' ' VAL . 9.0 t -177.09 -142.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.548 ' N ' HG23 ' A' ' 65' ' ' THR . 1.1 m -136.26 126.21 25.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.723 HD11 HG13 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -101.46 135.06 43.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.649 ' O ' ' N ' ' A' ' 70' ' ' ARG . 1.2 t -87.16 81.23 8.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.499 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.087 HG11 HG21 ' A' ' 110' ' ' ILE . 6.9 t -58.62 70.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.676 ' HG3' ' CZ ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -68.3 126.31 29.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 110.343 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.525 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 32.0 ttp180 -85.26 -72.33 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 89.5 p -59.91 95.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CE2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -135.62 169.42 17.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -128.36 72.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.405 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -77.52 155.7 43.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 47' ' ' CYS . 50.8 p90 -97.43 136.08 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.529 HD22 ' CD1' ' A' ' 83' ' ' TRP . 3.0 mm? -34.8 -62.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.526 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.406 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.964 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 45.6 m95 -65.55 -94.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 152.9 166.08 14.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.426 1.079 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 85' ' ' THR . 7.0 m -64.86 70.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 0.796 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 84' ' ' GLY . 5.9 p -110.01 166.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.88 100.52 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' ALA . 1.6 m -43.46 -31.01 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 108.312 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 t -48.73 -22.89 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.399 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.16 -26.03 58.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.047 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -126.85 16.56 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 36.94 75.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.901 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 1.3 m -50.8 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 108.346 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -149.14 150.1 32.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.702 ' CG2' HD12 ' A' ' 67' ' ' LEU . 1.4 t -110.32 113.29 43.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -109.5 174.16 17.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.886 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 2.5 tm? -112.29 154.76 25.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.852 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -136.79 136.16 38.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.025 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.431 ' CG ' ' CG ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.431 ' CG ' ' CG ' ' A' ' 99' ' ' ASP . 9.2 p-10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -87.27 -170.65 46.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -164.54 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.854 ' HG3' HG23 ' A' ' 108' ' ' VAL . 21.5 tp10 -121.79 -40.53 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 94.78 24.29 18.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.854 HG23 ' HG3' ' A' ' 106' ' ' GLU . 76.7 t -79.01 81.53 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.4 110.15 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 1.087 HG21 HG11 ' A' ' 69' ' ' VAL . 2.1 mt -102.86 131.01 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.552 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -85.67 106.7 17.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.955 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.971 ' CE2' HG12 ' A' ' 69' ' ' VAL . 37.1 m-85 -81.31 125.27 30.14 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.379 1.049 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.77 ' CB ' HD23 ' A' ' 97' ' ' LEU . . . -101.81 155.09 18.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.61 ' O ' HG13 ' A' ' 21' ' ' VAL . 13.7 p -151.77 158.47 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.153 . . . . 0.0 110.367 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.983 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.8 t -99.16 134.75 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.395 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.532 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.49 -58.34 0.82 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.983 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.96 -161.52 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.438 1.757 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.99 23.35 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.555 ' O ' HD12 ' A' ' 13' ' ' LEU . 66.8 p 179.88 72.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.969 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.694 ' HA2' HG21 ' A' ' 17' ' ' THR . . . -49.63 -25.43 6.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 11' ' ' SER . 0.7 OUTLIER 45.07 20.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 0.768 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.494 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -148.03 122.6 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.519 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 20.9 t0 -59.64 100.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.558 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 99.09 31.62 6.16 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.46 1.1 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.694 HG21 ' HA2' ' A' ' 12' ' ' GLY . 1.0 OUTLIER -63.3 85.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 110.459 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 16' ' ' GLY . 6.4 t -72.34 98.98 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.774 HG21 ' CG ' ' A' ' 9' ' ' PRO . 34.6 m -124.94 175.47 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -65.82 148.41 51.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.862 HG22 HG13 ' A' ' 7' ' ' VAL . 53.3 t -145.09 143.55 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -147.34 155.94 42.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.881 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 100.53 175.73 29.83 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.772 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 152.54 -161.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.12 -4.95 5.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.153 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.5 OUTLIER 49.93 65.26 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 0.712 . . . . 0.0 109.349 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.689 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 33.4 tp60 -85.59 -94.87 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 162.45 100.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.66 34.45 20.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.821 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 4.7 m -109.97 152.12 26.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 110.438 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.91 150.06 48.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.746 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 5.9 m-85 -144.83 78.11 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -53.23 121.67 7.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.649 ' HA ' HD13 ' A' ' 97' ' ' LEU . 99.1 t -62.09 156.33 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.403 ' HA2' ' CG ' ' A' ' 51' ' ' ASP . . . -151.62 145.73 13.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.429 1.081 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.796 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -136.73 120.82 17.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.455 0.738 . . . . 0.0 110.317 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.486 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 10.9 m -128.76 175.97 8.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.04 135.08 32.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.248 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.608 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -102.64 126.99 49.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 107.983 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.522 HG22 ' HB2' ' A' ' 91' ' ' ALA . 93.5 t -112.36 -27.39 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.547 ' O ' ' CE2' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -160.85 -163.92 1.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.565 ' HA ' ' CH2' ' A' ' 39' ' ' TRP . 1.0 OUTLIER -78.41 -24.68 46.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.419 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.38 11.23 9.14 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.496 1.122 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.572 HG13 HD11 ' A' ' 77' ' ' LEU . 2.8 t -118.63 103.45 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.475 0.75 . . . . 0.0 109.245 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.608 HD22 ' HA ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -137.31 97.94 3.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.517 ' HB1' ' HA3' ' A' ' 75' ' ' GLY . . . -88.83 107.28 18.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.1 m -84.8 157.01 21.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.298 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 57.9 t30 -112.82 91.93 19.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.643 1.214 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -75.02 39.16 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.629 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -133.19 3.24 3.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 109.369 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -44.82 -50.5 10.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 21.7 m-85 63.68 -57.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.574 ' N ' ' O ' ' A' ' 51' ' ' ASP . 3.6 m -31.13 146.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.037 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 p -144.7 141.48 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.748 HG23 ' HB ' ' A' ' 65' ' ' THR . 3.9 p -128.49 -179.18 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.718 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -133.88 153.48 51.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 110.365 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.955 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -84.43 145.33 28.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.5 p30 -109.32 120.63 43.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.81 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -43.38 -44.07 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.955 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 124.87 6.08 6.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.498 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.6 t -76.44 132.15 39.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 109.941 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -67.56 157.26 34.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' A' ' 65' ' ' THR . 34.7 p -162.45 103.34 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.748 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.3 174.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.407 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 5.5 m -89.04 127.93 35.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.852 ' HB2' HG21 ' A' ' 21' ' ' VAL . 5.3 mp -114.74 142.9 45.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 68' ' ' THR . 9.9 t -84.12 97.88 9.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.084 HG12 ' CE2' ' A' ' 112' ' ' PHE . 23.2 t -69.41 65.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.569 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -58.39 132.28 53.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.519 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 2.3 ttt180 -91.03 -74.06 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.5 t -78.75 109.94 13.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.962 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 48' ' ' ASN . 5.5 p90 -148.58 162.79 38.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.425 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 1.0 OUTLIER -82.77 116.2 22.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.517 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -103.43 146.49 16.49 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CG ' ' HB3' ' A' ' 82' ' ' ARG . 9.9 m-85 -125.24 125.3 43.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.06 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.644 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 4.6 mm? -40.8 -68.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.644 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.4 t80 . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.471 ' HB3' ' CG ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.419 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 62.5 m95 -84.42 -49.23 8.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.056 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 76.72 137.95 0.84 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.554 1.159 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.745 ' O ' HG23 ' A' ' 85' ' ' THR . 3.5 t 33.56 46.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 110.411 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.6 p -87.83 147.46 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -77.6 106.8 9.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.696 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -46.4 -31.57 2.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 108.288 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.872 HG21 ' HB3' ' A' ' 113' ' ' ASN . 25.6 p -62.34 -34.41 76.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.47 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.529 ' N ' ' O ' ' A' ' 87' ' ' ASP . 3.2 m -59.82 -31.58 69.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.639 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -135.8 39.47 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.639 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 18.24 63.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 1.7 p -45.65 175.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 108.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.506 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 4.9 pm0 -139.39 159.39 42.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.796 HG23 ' HG2' ' A' ' 36' ' ' GLN . 14.6 p -128.56 119.87 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.39 -176.49 14.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.77 HD23 ' CB ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -106.84 148.74 28.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.8 132.86 40.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.484 ' ND2' ' H ' ' A' ' 104' ' ' GLY . 10.8 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.484 ' H ' ' ND2' ' A' ' 103' ' ' ASN . . . 82.45 159.86 26.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.376 1.048 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -74.97 144.86 30.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.438 1.757 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.1 mt-10 163.55 41.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -82.02 -179.19 52.78 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.506 ' N ' ' HB2' ' A' ' 94' ' ' GLN . 8.7 p -101.67 123.85 55.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.424 0.72 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.76 116.49 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.533 HD11 ' HB ' ' A' ' 7' ' ' VAL . 35.5 mt -114.79 153.96 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -93.27 104.98 17.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.043 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.084 ' CE2' HG12 ' A' ' 69' ' ' VAL . 3.7 m-85 -96.51 158.89 15.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.872 ' HB3' HG21 ' A' ' 89' ' ' THR . 28.4 t-20 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.596 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -106.02 167.51 9.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.706 ' HA ' HG21 ' A' ' 108' ' ' VAL . 17.3 p -152.59 152.85 32.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.343 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.863 HG12 ' CD1' ' A' ' 110' ' ' ILE . 5.9 p -125.09 150.49 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.487 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.78 -56.06 0.88 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.481 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.7 ' HD2' HG22 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.03 -161.39 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.8 . . . . 0.0 111.001 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.876 ' O ' HG23 ' A' ' 110' ' ' ILE . 85.6 p -160.91 -29.82 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.498 ' HA ' ' O ' ' A' ' 111' ' ' SER . 14.1 p -169.44 155.04 5.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.06 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 78.93 28.48 54.33 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 111.066 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.008 HD12 HG11 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -74.35 -147.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.479 0.753 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.97 166.41 32.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.541 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 5.7 p-10 -62.72 99.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.507 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 86.97 34.7 10.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -66.41 82.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.404 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 16' ' ' GLY . 4.9 t -67.09 101.64 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -125.91 173.58 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 65' ' ' THR . 1.5 tttt -73.9 125.11 27.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.767 HG11 HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -111.44 142.84 22.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.44 160.4 40.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.777 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 74.77 -165.31 54.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 141.5 -130.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.93 -2.92 79.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.559 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 46.61 57.27 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.722 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -72.96 -90.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 160.39 95.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . 36.25 56.79 1.15 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.569 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -133.95 150.64 51.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 110.421 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.03 146.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.371 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.791 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -149.3 81.45 1.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 98' ' ' SER . 10.8 t70 -59.14 120.14 8.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.672 HG22 HD21 ' A' ' 67' ' ' LEU . 7.1 t -55.95 153.1 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -130.51 -156.01 8.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.407 1.067 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.879 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 159.28 110.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 11.1 m -130.01 173.71 10.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.365 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.563 ' HB2' ' HZ ' ' A' ' 73' ' ' PHE . . . -137.81 133.7 34.3 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.574 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 24.8 p-90 -101.56 116.18 32.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 108.027 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.704 HG21 ' NE1' ' A' ' 83' ' ' TRP . 86.1 t -83.15 -109.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.625 ' N ' HG12 ' A' ' 40' ' ' VAL . 75.3 m-20 -91.49 36.72 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 41' ' ' ASP . 0.7 OUTLIER 69.61 -58.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -62.26 -16.58 54.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.569 HG13 HD11 ' A' ' 77' ' ' LEU . 14.7 t -125.1 123.02 64.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.374 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 tt -132.7 118.0 18.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.58 ' HB1' ' N ' ' A' ' 76' ' ' PHE . . . -103.88 113.36 26.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.46 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -87.35 161.4 17.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 108.281 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.552 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 5.4 t-20 -114.45 89.51 18.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.07 41.84 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.545 1.813 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.445 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.35 4.83 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.228 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -37.49 -49.65 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.02 -60.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.587 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.0 m -35.81 153.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.419 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 11.2 p -157.52 142.09 16.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.004 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.923 HG21 ' CG2' ' A' ' 65' ' ' THR . 1.2 p -144.84 -157.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.688 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.3 m -144.98 163.05 35.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.79 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -86.76 170.39 11.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.646 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.1 p30 -124.63 118.84 27.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.526 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.83 -89.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.646 ' N ' ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -36.68 -46.48 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.559 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 124.91 5.85 6.7 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.524 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -85.67 134.08 34.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.971 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -66.8 162.79 20.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.447 ' O ' ' HB ' ' A' ' 65' ' ' THR . 78.6 p -162.48 105.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.923 ' CG2' HG21 ' A' ' 55' ' ' VAL . 6.6 t -177.86 -137.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.369 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.537 ' O ' HD12 ' A' ' 67' ' ' LEU . 18.0 p -138.75 129.01 25.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.767 HD22 HG11 ' A' ' 21' ' ' VAL . 5.6 mp -118.96 146.45 44.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.866 HG23 ' NE ' ' A' ' 70' ' ' ARG . 6.5 t -81.22 100.76 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.318 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.008 HG11 HD12 ' A' ' 13' ' ' LEU . 99.4 t -67.56 67.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.866 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -63.49 130.17 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.541 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 5.2 ttp180 -102.32 -74.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.4 p -75.92 90.1 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.034 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.563 ' HZ ' ' HB2' ' A' ' 38' ' ' ALA . 2.9 p90 -135.67 157.95 45.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -81.89 105.99 13.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.341 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.5 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -87.13 150.13 22.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.58 ' N ' ' HB1' ' A' ' 46' ' ' ALA . 2.4 m-85 -133.43 137.3 45.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.606 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 1.1 mm? -57.8 -46.73 84.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.606 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.0 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 111.041 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.421 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.704 ' NE1' HG21 ' A' ' 40' ' ' VAL . 20.1 m95 -80.58 -79.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.623 1.202 . . . . 0.0 108.03 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.638 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 102.5 150.82 23.11 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 15.93 75.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 110.404 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.7 p -125.16 147.65 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.36 119.62 25.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.607 ' SG ' ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -67.62 -36.79 81.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 108.25 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.539 ' OG1' ' CA ' ' A' ' 113' ' ' ASN . 7.5 t -60.22 -24.4 64.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.4 m -77.7 -24.41 49.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -125.92 25.16 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 31.27 61.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 1.4 p -53.65 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 108.313 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.456 ' HB2' ' C ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -137.0 147.56 46.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.344 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.879 HG23 ' HG2' ' A' ' 36' ' ' GLN . 12.9 p -137.74 104.94 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.51 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -136.51 -161.35 9.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -93.62 158.14 15.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -148.97 145.31 27.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.48 ' OD1' ' OD1' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.562 ' C ' ' OD1' ' A' ' 103' ' ' ASN . 6.4 p-10 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -30.81 105.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -74.99 -155.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.57 1.826 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.588 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 5.2 tt0 93.87 54.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.51 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . -50.31 -91.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 95' ' ' VAL . 12.2 p -160.85 105.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.15 106.78 3.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.876 HG23 ' O ' ' A' ' 10' ' ' SER . 10.5 mt -128.68 151.27 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.498 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -77.29 103.03 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.763 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 3.0 m-30 -80.19 5.83 13.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.539 ' CA ' ' OG1' ' A' ' 89' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -109.04 141.5 41.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.6 p -146.43 161.05 41.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.458 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.813 HG13 ' HD2' ' A' ' 9' ' ' PRO . 1.3 p -104.16 169.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.599 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -55.32 -61.77 5.49 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.434 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.813 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -74.88 167.56 26.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.948 ' C ' HG23 ' A' ' 110' ' ' ILE . 43.1 t -132.83 -0.33 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.005 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.457 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 89.7 p 177.87 149.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.37 28.65 32.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.027 HD12 HG11 ' A' ' 69' ' ' VAL . 0.6 OUTLIER -72.66 -145.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.31 171.98 18.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.556 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 19.6 p-10 -65.31 99.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 79.61 35.58 28.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.062 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.77 ' O ' HG22 ' A' ' 17' ' ' THR . 0.8 OUTLIER -64.97 84.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.54 HG12 ' HB3' ' A' ' 66' ' ' SER . 3.8 t -69.7 95.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.778 HG23 ' CG2' ' A' ' 7' ' ' VAL . 0.8 OUTLIER -117.25 177.48 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.41 148.65 49.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 65' ' ' THR . 3.9 p -144.3 149.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -152.65 152.96 32.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.906 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 101.07 177.61 29.13 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.422 1.076 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.07 -156.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.55 -1.19 4.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.541 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.3 tp 49.23 59.01 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.799 ' OE1' HG21 ' A' ' 30' ' ' THR . 2.4 tt0 -84.54 -98.77 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 176.36 96.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 44.17 24.52 0.58 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.799 HG21 ' OE1' ' A' ' 27' ' ' GLN . 32.7 m -91.39 156.6 17.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.784 . . . . 0.0 110.379 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.84 147.97 52.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.548 ' CD1' HD23 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -144.31 78.76 1.59 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -48.42 118.76 2.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.64 ' CG1' HD13 ' A' ' 67' ' ' LEU . 94.6 t -62.97 147.55 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' OD2' ' A' ' 51' ' ' ASP . . . -134.09 140.55 11.87 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.872 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -131.76 117.92 19.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.759 . . . . 0.0 110.363 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.485 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 7.0 m -129.85 170.56 13.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 108.286 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -133.74 112.64 11.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.594 ' HE1' ' HB3' ' A' ' 92' ' ' ALA . 11.1 p-90 -82.12 111.35 18.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 108.01 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.645 HG21 ' CE2' ' A' ' 83' ' ' TRP . 89.7 t -78.84 -109.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.619 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -91.42 37.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 70.23 -58.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 1.18 . . . . 0.0 110.407 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.457 ' N ' HG22 ' A' ' 42' ' ' THR . . . -59.27 -15.5 30.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.478 1.112 . . . . 0.0 110.975 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.519 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 65.2 t -128.42 135.53 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.463 HD23 ' HB3' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -137.26 103.26 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.773 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -79.07 92.96 5.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.485 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -80.89 149.23 29.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 108.217 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.631 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 4.0 t-20 -114.11 89.3 16.68 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -74.91 34.92 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.535 1.808 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.97 3.9 3.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.079 . . . . 0.0 109.389 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -43.4 -49.31 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 71.85 -51.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.545 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.8 m -30.82 144.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 62.2 p -139.77 139.05 36.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.609 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 4.7 p -129.25 154.94 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.2 m -114.13 152.47 31.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -85.57 169.91 13.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.599 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.8 p30 -129.09 119.03 23.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.32 -90.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.369 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.599 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.7 t-20 -35.97 -44.92 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.541 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.4 1.95 7.07 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.513 1.133 . . . . 0.0 111.05 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 4.0 t -77.81 134.92 37.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.74 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.906 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -71.4 160.26 33.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 65' ' ' THR . 65.8 p -162.3 106.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.977 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -179.28 -171.96 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.592 ' N ' HG23 ' A' ' 65' ' ' THR . 19.3 m -100.8 128.63 46.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.039 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.971 ' HG ' HG11 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -111.15 134.81 52.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.905 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -80.1 97.99 7.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 110.418 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.027 HG11 HD12 ' A' ' 13' ' ' LEU . 83.5 t -67.49 65.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.905 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -58.7 127.16 30.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.361 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.556 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 10.4 ttp180 -88.28 -71.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.2 t -75.7 111.35 10.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.589 1.181 . . . . 0.0 109.981 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.663 ' CZ ' ' HD2' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -139.36 166.03 25.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.514 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 4.3 pt-20 -115.97 71.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.495 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -74.82 152.65 44.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.125 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.706 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -102.54 134.29 46.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 0.772 . . . . 0.0 111.006 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.556 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 10.0 mp -38.17 -66.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.661 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.457 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.773 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 86.8 m95 -67.97 -67.84 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 107.965 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.534 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 94.43 134.9 7.62 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.749 ' O ' HG23 ' A' ' 85' ' ' THR . 2.8 t 27.49 45.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 0.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 73' ' ' PHE . 8.0 p -91.82 141.96 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.456 ' O ' ' HB ' ' A' ' 90' ' ' THR . 12.4 m-20 -72.02 90.31 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -52.97 -32.52 46.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 108.306 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.54 ' OG1' ' N ' ' A' ' 113' ' ' ASN . 2.5 t -63.52 -35.71 81.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.444 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -65.61 -28.94 69.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.434 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -109.08 30.62 6.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.594 ' HB3' ' HE1' ' A' ' 39' ' ' TRP . . . 33.91 54.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.555 ' SG ' ' CE2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -50.86 -178.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 108.283 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 13.8 pm0 -140.54 152.96 45.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.872 HG23 ' CG ' ' A' ' 36' ' ' GLN . 14.3 p -139.95 89.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -119.31 -163.65 12.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.001 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -87.41 158.75 18.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 0.799 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . 1.001 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -148.4 108.9 4.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.952 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.505 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 1.7 p30 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.505 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 88.24 177.32 47.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.442 1.089 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.454 ' HB3' HD13 ' A' ' 45' ' ' LEU . 18.3 Cg_endo -74.98 98.18 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.541 1.811 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -154.04 19.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -74.7 175.0 50.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 108' ' ' VAL . 9.9 p -91.51 103.44 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.571 0.806 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -72.47 106.37 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.236 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.948 HG23 ' C ' ' A' ' 10' ' ' SER . 38.4 mt -130.42 151.12 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.457 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -70.81 100.51 1.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.064 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.892 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 4.0 m-30 -81.16 12.25 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.54 ' N ' ' OG1' ' A' ' 89' ' ' THR . 33.5 t30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.39 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.449 ' C ' ' N ' ' A' ' 24' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.529 ' CB ' ' HG ' ' A' ' 97' ' ' LEU . . . -77.95 126.2 30.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.528 ' HA ' HG21 ' A' ' 108' ' ' VAL . 18.5 p -151.45 153.84 35.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.35 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.689 HG22 HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -101.16 124.7 55.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.541 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.14 -58.32 0.49 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.946 ' HG2' HG21 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.95 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.792 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.83 28.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.542 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 64.2 p 176.66 63.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.06 . . . . 0.0 109.979 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.689 ' HA3' HG21 ' A' ' 17' ' ' THR . . . -56.04 -24.38 42.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.562 1.164 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.542 ' CD1' ' O ' ' A' ' 11' ' ' SER . 0.3 OUTLIER 47.04 19.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 0.782 . . . . 0.0 109.347 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.497 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -137.85 118.98 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.993 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.573 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 55.5 t0 -54.66 96.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.504 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 99.0 37.11 4.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -67.85 78.45 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 0.741 . . . . 0.0 110.432 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.796 HG12 ' HB2' ' A' ' 66' ' ' SER . 4.6 t -61.89 94.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.946 HG21 ' HG2' ' A' ' 9' ' ' PRO . 12.9 m -106.32 -175.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.075 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -86.73 109.82 19.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.837 HG21 HD22 ' A' ' 67' ' ' LEU . 8.2 p -102.26 126.01 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -133.05 159.2 40.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.838 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 98.16 176.43 33.23 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 152.35 -159.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.8 -2.88 3.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.572 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.9 OUTLIER 49.37 64.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.545 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 3.8 mt-30 -91.23 -96.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 172.35 87.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.449 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 66.12 15.27 62.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 31' ' ' ALA . 94.7 m -71.58 171.8 10.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.478 ' N ' HG22 ' A' ' 30' ' ' THR . . . -100.12 142.54 31.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.778 ' HB3' HD13 ' A' ' 97' ' ' LEU . 21.5 m-85 -137.93 77.25 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.43 127.83 23.69 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.754 HG21 ' HB3' ' A' ' 53' ' ' SER . 38.6 t -58.01 164.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.483 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -133.67 -75.56 0.1 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.763 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 69.45 102.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 29.4 m -121.67 178.82 4.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 108.337 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.858 ' HB2' ' SG ' ' A' ' 88' ' ' CYS . . . -130.41 91.88 3.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -72.07 113.61 9.3 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.575 1.172 . . . . 0.0 108.007 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.09 HG22 ' HB1' ' A' ' 91' ' ' ALA . 16.7 t -110.79 -28.32 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER 177.65 174.68 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.38 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.1 m -55.83 91.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.08 . . . . 0.0 110.322 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.33 -10.39 46.69 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.431 1.082 . . . . 0.0 111.096 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.623 HG13 HD21 ' A' ' 77' ' ' LEU . 2.2 t -97.2 40.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.593 0.819 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.91 ' O ' HD23 ' A' ' 45' ' ' LEU . 2.6 tt -99.32 96.23 7.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.632 ' HB1' ' C ' ' A' ' 75' ' ' GLY . . . -76.59 93.68 3.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.566 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -70.35 154.59 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 108.255 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.518 ' C ' ' H ' ' A' ' 50' ' ' ALA . 24.6 t-20 -115.52 81.17 8.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.94 28.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.472 1.775 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -126.38 0.09 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -46.75 -53.93 10.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.593 1.183 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.516 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER 78.01 -39.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.754 ' HB3' HG21 ' A' ' 34' ' ' VAL . 18.0 m -43.27 158.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.7 p -156.06 143.45 19.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.71 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 5.2 p -128.58 146.74 33.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.7 m -108.17 151.79 25.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.424 1.078 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -77.3 170.68 16.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.647 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.5 p30 -131.29 120.47 23.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.521 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.35 -88.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.647 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.9 t-20 -37.61 -46.75 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.187 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.572 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 129.78 -1.38 5.93 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.489 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -77.0 135.99 38.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 0.716 . . . . 0.0 109.984 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.838 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -69.42 160.07 32.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.165 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' A' ' 65' ' ' THR . 31.1 p -166.71 110.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.616 HG23 ' N ' ' A' ' 66' ' ' SER . 2.5 t -177.61 -162.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.796 ' HB2' HG12 ' A' ' 18' ' ' VAL . 87.8 p -107.66 133.61 51.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.837 HD22 HG21 ' A' ' 21' ' ' VAL . 1.3 mp -126.66 122.69 35.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.562 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 2.7 t -69.56 94.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.829 HG11 HG21 ' A' ' 110' ' ' ILE . 98.9 t -64.93 67.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.598 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 0.2 OUTLIER -47.83 146.19 2.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.59 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -104.3 -49.55 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.1 p -131.17 144.51 51.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.575 1.172 . . . . 0.0 109.979 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 50.5 p90 -179.97 -167.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -88.43 111.6 21.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.372 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.632 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -113.0 136.33 13.37 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.604 ' CD2' ' CB ' ' A' ' 82' ' ' ARG . 6.4 m-85 -121.93 131.01 53.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.623 HD21 HG13 ' A' ' 44' ' ' VAL . 6.4 mp -69.26 -49.66 54.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.1 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.604 ' CB ' ' CD2' ' A' ' 76' ' ' PHE . 1.8 ptt180 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.641 ' HB3' HG11 ' A' ' 86' ' ' VAL . 78.7 m95 -60.29 -93.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 107.996 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 106.2 136.04 8.27 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.803 ' O ' HG23 ' A' ' 85' ' ' THR . 3.4 t 23.87 52.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 0.719 . . . . 0.0 110.389 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.641 HG11 ' HB3' ' A' ' 83' ' ' TRP . 8.0 p -114.9 158.23 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.79 128.02 34.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.858 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -94.8 -31.48 13.72 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.466 1.104 . . . . 0.0 108.312 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.461 ' HB ' ' HB2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -54.62 -36.86 64.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 1.082 . . . . 0.0 110.376 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.35 -27.99 65.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.464 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.09 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -105.28 24.01 12.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 34.54 70.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.08 -179.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 108.348 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 1.3 pt20 -155.77 140.96 17.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.763 HG23 ' CG ' ' A' ' 36' ' ' GLN . 3.6 p -105.76 117.86 52.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -144.23 150.95 23.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.778 HD13 ' HB3' ' A' ' 32' ' ' TYR . 4.4 pp -103.49 156.88 17.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.53 127.09 28.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.951 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.495 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.446 ' ND2' ' H ' ' A' ' 104' ' ' GLY . 12.6 t30 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.446 ' H ' ' ND2' ' A' ' 103' ' ' ASN . . . 73.95 161.55 7.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 111.055 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 165.56 31.04 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.808 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -98.74 -46.53 5.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.55 14.32 44.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.575 1.172 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.528 HG21 ' HA ' ' A' ' 6' ' ' THR . 73.0 t -78.04 80.1 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.75 111.5 6.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.829 HG21 HG11 ' A' ' 69' ' ' VAL . 5.4 mt -103.79 149.92 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -92.01 95.29 9.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.033 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.662 ' CE1' ' O ' ' A' ' 110' ' ' ILE . 1.3 m-85 -91.98 153.8 19.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 111.06 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.54 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 17.9 m-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.515 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -99.84 167.73 10.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.515 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 2.5 p -154.19 156.84 37.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.456 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.075 HG12 ' HD2' ' A' ' 9' ' ' PRO . 5.6 t -120.09 133.1 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.065 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.588 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.1 -61.03 0.51 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.36 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.075 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.94 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 0.0 111.062 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.533 ' C ' HG23 ' A' ' 110' ' ' ILE . 9.9 t -151.21 23.61 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.082 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.496 ' N ' HG23 ' A' ' 110' ' ' ILE . 0.6 OUTLIER -156.08 101.18 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.932 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.714 ' H ' HG22 ' A' ' 110' ' ' ILE . . . -79.4 13.18 23.04 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.452 1.095 . . . . 0.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.695 ' C ' ' O ' ' A' ' 12' ' ' GLY . 5.8 mt -8.94 -70.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -59.0 115.0 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.962 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 9.8 t70 -52.16 101.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 96.93 36.73 4.9 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.841 ' O ' HG23 ' A' ' 69' ' ' VAL . 2.3 m -62.27 88.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.449 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.785 HG22 ' HB ' ' A' ' 68' ' ' THR . 4.2 t -75.1 100.71 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.682 HG21 ' CG ' ' A' ' 9' ' ' PRO . 5.2 m -132.89 171.15 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -51.0 141.69 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.843 HG11 HD22 ' A' ' 67' ' ' LEU . 18.2 t -147.86 128.32 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -131.05 160.01 35.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.367 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.889 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 100.32 175.17 30.09 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.75 -158.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.423 ' C ' ' OH ' ' A' ' 32' ' ' TYR . . . -63.08 -2.24 4.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.514 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 48.52 60.84 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.265 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.598 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 4.9 tt0 -84.2 -99.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 169.24 96.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.16 39.09 26.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.768 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 51.6 m -115.92 156.89 25.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 0.751 . . . . 0.0 110.359 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.04 151.04 41.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.599 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 1.8 m-85 -148.45 79.35 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.34 124.96 14.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.6 HG22 HD21 ' A' ' 67' ' ' LEU . 70.5 t -64.32 150.79 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.7 143.48 11.5 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -132.56 115.85 15.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.597 0.822 . . . . 0.0 110.316 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 93' ' ' CYS . 3.9 m -126.43 172.82 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.728 ' HB2' ' CB ' ' A' ' 93' ' ' CYS . . . -149.51 162.78 39.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.594 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 37.4 m0 -90.76 143.05 27.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 107.976 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.508 HG12 ' H ' ' A' ' 41' ' ' ASP . 4.8 t -116.19 -128.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.508 ' H ' HG12 ' A' ' 40' ' ' VAL . 8.0 m-20 -58.74 -177.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.57 1.169 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.3 m -69.95 89.87 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 110.378 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.52 -7.51 34.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.556 1.16 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.494 ' CG2' ' HB2' ' A' ' 41' ' ' ASP . 98.6 t -95.79 138.11 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 46' ' ' ALA . 2.3 tt -133.14 144.58 50.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.423 ' N ' HD23 ' A' ' 45' ' ' LEU . . . -126.75 122.0 33.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -95.18 159.5 14.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.354 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 32.6 t-20 -112.05 93.29 20.88 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.407 1.067 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.96 39.58 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -129.25 -0.54 5.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -46.99 -54.0 11.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.354 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 1.2 m-85 63.64 -54.04 0.22 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.578 1.174 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 51' ' ' ASP . 3.4 m -32.81 150.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.964 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.6 p -145.95 141.97 28.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.701 HG23 ' HB ' ' A' ' 65' ' ' THR . 9.0 p -132.81 175.75 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.646 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -124.72 157.3 35.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 0.0 110.434 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.781 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -88.11 155.02 20.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 60' ' ' ASN . 12.8 p30 -117.89 121.23 40.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.65 -91.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.607 ' N ' ' O ' ' A' ' 58' ' ' ASP . 3.6 m-20 -39.73 -44.64 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.781 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 124.31 5.3 7.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 13.8 m -80.27 133.2 35.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 0.786 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.889 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -66.98 158.16 31.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.7 p -159.02 101.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.701 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.57 173.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 9.5 m -86.66 122.0 29.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.843 HD22 HG11 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -113.18 144.93 41.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.81 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -84.99 115.76 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.029 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.7 t -84.66 61.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.81 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.4 OUTLIER -44.0 133.7 4.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 2.4 ttm180 -90.11 -71.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.432 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 5.7 p -99.83 152.74 19.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.988 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CZ ' ' CB ' ' A' ' 88' ' ' CYS . 1.8 p90 179.11 -169.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -98.1 76.08 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.84 140.62 38.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 4.3 t80 -122.04 151.89 40.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 0.78 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 1.6 mm? -62.01 -59.29 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.555 ' CG ' ' N ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -156.76 -62.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.555 ' N ' ' CG ' ' A' ' 83' ' ' TRP . . . -34.19 -86.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.425 1.078 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 85' ' ' THR . 1.0 OUTLIER 36.41 32.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.775 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 179.42 -165.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.381 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.775 ' N ' HG13 ' A' ' 86' ' ' VAL . 1.7 m-20 -52.42 120.26 5.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -91.62 -21.68 20.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.162 . . . . 0.0 108.394 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.587 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 3.3 t -50.77 -27.84 8.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -23.66 66.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.681 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -111.94 41.45 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.681 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 13.14 73.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.728 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . 2.0 m -70.93 -175.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 108.265 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.536 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 3.5 pm0 -150.92 163.11 39.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.208 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.479 HG12 HD12 ' A' ' 110' ' ' ILE . 7.3 p -125.46 102.4 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 5' ' ' ALA . . . -113.46 163.39 12.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.495 HD23 ' HB2' ' A' ' 5' ' ' ALA . 0.9 OUTLIER -93.58 146.56 23.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.33 136.33 45.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.6 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.6 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 95.32 149.74 26.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -74.93 142.53 28.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.435 1.755 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 3.3 mt-10 165.15 41.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.254 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.85 -167.97 42.97 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.536 ' O ' ' CB ' ' A' ' 94' ' ' GLN . 14.0 p -104.44 134.1 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.68 119.1 20.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.245 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.749 HD11 ' CG2' ' A' ' 7' ' ' VAL . 49.1 mt -122.85 146.83 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.553 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -80.78 98.43 7.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.035 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.029 ' CE2' HG12 ' A' ' 69' ' ' VAL . 70.9 m-85 -81.84 10.33 6.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.502 ' N ' ' OG1' ' A' ' 89' ' ' THR . 1.4 m-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.346 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.473 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.957 ' CB ' HD23 ' A' ' 97' ' ' LEU . . . -99.33 171.15 8.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.66 ' HA ' HG21 ' A' ' 108' ' ' VAL . 81.4 p -154.1 156.46 37.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.976 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.5 t -107.68 132.62 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.625 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.63 -62.74 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.369 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.976 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.0 -160.63 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.567 1.825 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.616 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.8 t 159.99 28.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.479 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 17.1 p 179.5 141.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.059 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 61.93 36.25 92.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.944 HD12 HG21 ' A' ' 110' ' ' ILE . 5.2 mt -92.04 -145.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.86 159.42 39.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.439 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 10.4 p-10 -64.67 99.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.498 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 98.07 29.24 7.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.631 ' O ' HG22 ' A' ' 17' ' ' THR . 0.7 OUTLIER -71.45 96.8 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.403 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.6 t -81.25 104.2 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.789 HG21 ' CG ' ' A' ' 9' ' ' PRO . 30.6 m -127.62 171.06 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -60.05 138.89 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.93 ' CG2' HG13 ' A' ' 7' ' ' VAL . 20.5 t -142.29 144.01 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -146.33 157.65 43.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.77 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 102.48 177.52 27.31 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 155.06 -154.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.33 -2.47 7.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.492 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 5.4 tp 51.44 69.11 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.76 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.621 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -93.73 -94.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 167.83 95.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 44.5 43.05 7.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.605 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 91.4 m -115.08 155.78 26.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 0.795 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.05 148.51 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.807 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 4.9 m-85 -151.15 81.18 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.69 132.51 45.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.546 HG12 ' OD2' ' A' ' 51' ' ' ASP . 95.5 t -76.46 148.54 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -131.0 -167.42 11.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 175.53 111.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 0.758 . . . . 0.0 110.338 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 7.4 m -110.24 175.77 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.585 ' CB ' ' SG ' ' A' ' 93' ' ' CYS . . . -129.75 92.19 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.373 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.435 ' O ' ' O ' ' A' ' 91' ' ' ALA . 22.6 t90 -73.33 105.81 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 107.999 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.808 HG22 ' CB ' ' A' ' 91' ' ' ALA . 22.0 t -107.98 -25.63 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.521 ' HB3' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -172.86 -172.82 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.8 m -54.11 -55.94 22.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.59 32.62 6.12 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.811 HG13 ' CZ2' ' A' ' 83' ' ' TRP . 9.6 t -128.04 44.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.773 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.493 ' O ' HD23 ' A' ' 77' ' ' LEU . 5.8 tt -107.68 110.97 22.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.716 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -97.73 110.34 22.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -84.15 144.83 28.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 108.31 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 46.6 t30 -117.69 80.32 13.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 23.22 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -116.66 2.1 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.546 ' OD2' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -36.59 -34.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.603 1.189 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER 76.49 -55.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.972 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.466 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 3.5 m -38.61 154.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.938 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -155.91 145.61 21.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.601 ' CG1' HD11 ' A' ' 97' ' ' LEU . 2.4 p -141.02 168.33 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.551 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -115.44 152.7 32.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.47 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.807 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -78.72 166.63 22.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.618 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.3 p30 -126.69 120.02 28.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.505 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.78 -90.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.618 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.0 m-20 -36.49 -43.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.56 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 121.09 10.58 6.71 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -89.21 131.51 35.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 109.971 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -64.42 163.9 12.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.402 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 10.1 p -160.05 109.28 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.599 HG23 ' N ' ' A' ' 66' ' ' SER . 0.4 OUTLIER 174.69 176.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.406 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.599 ' N ' HG23 ' A' ' 65' ' ' THR . 91.9 p -88.54 121.74 31.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.777 HD22 HG11 ' A' ' 21' ' ' VAL . 11.0 mp -109.57 145.51 36.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.655 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 7.5 t -91.29 101.79 14.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.966 HG11 HD12 ' A' ' 110' ' ' ILE . 1.8 t -74.74 62.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.655 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.2 OUTLIER -50.2 137.28 18.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 110.297 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.602 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 4.8 ttm180 -113.71 -71.93 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 110.267 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.5 p -59.77 84.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.653 ' CD2' ' N ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -177.79 -176.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.653 ' N ' ' CD2' ' A' ' 73' ' ' PHE . 3.2 mt-10 -159.44 162.62 35.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.578 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -127.99 -159.55 10.1 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.411 1.07 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 4.4 m-85 -102.46 142.23 33.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 0.811 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.678 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 5.4 mt -72.7 -39.6 66.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.376 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.678 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 5.9 t80 . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.59 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 10.3 ptt180 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.811 ' CZ2' HG13 ' A' ' 44' ' ' VAL . 20.4 m95 -88.35 -53.46 4.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.478 ' C ' ' HB2' ' A' ' 74' ' ' GLU . . . 129.08 -100.2 0.5 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.564 HG23 ' HA ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -150.93 102.09 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 110.407 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.53 ' CG1' ' OE2' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -135.26 166.75 27.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.37 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.429 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.4 OUTLIER -56.69 114.32 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.56 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.7 m -70.05 -40.86 74.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 108.281 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.1 t -44.4 -28.2 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 110.421 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.3 m -70.15 -26.32 63.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.808 ' CB ' HG22 ' A' ' 40' ' ' VAL . . . -124.31 11.03 8.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 40.92 72.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.585 ' SG ' ' CB ' ' A' ' 38' ' ' ALA . 23.4 m -54.01 173.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.276 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.494 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -138.46 150.19 46.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.48 HG11 HG21 ' A' ' 7' ' ' VAL . 2.7 p -122.89 121.45 63.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.431 ' CA ' ' HA2' ' A' ' 107' ' ' GLY . . . -129.61 178.99 17.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.957 HD23 ' CB ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -101.86 152.21 21.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.5 148.09 47.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.036 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.6 t30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -126.05 179.48 16.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.404 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -75.07 135.49 19.02 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.462 1.769 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.2 OUTLIER 172.23 38.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.431 ' HA2' ' CA ' ' A' ' 96' ' ' GLY . . . -69.77 -179.05 23.51 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.66 HG21 ' HA ' ' A' ' 6' ' ' THR . 5.2 t -104.15 119.02 52.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.44 114.53 6.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.966 HD12 HG11 ' A' ' 69' ' ' VAL . 6.0 mt -113.05 141.43 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -94.53 103.89 15.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.987 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.803 ' HE2' HG12 ' A' ' 69' ' ' VAL . 2.1 m-85 -85.12 126.84 33.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.78 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . -92.25 173.99 7.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.969 ' O ' HG13 ' A' ' 21' ' ' VAL . 33.2 p -151.07 152.7 33.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.451 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.626 HG13 ' HD2' ' A' ' 9' ' ' PRO . 3.1 t -97.97 115.51 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.642 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -32.24 -64.27 0.24 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HB2' HD21 ' A' ' 13' ' ' LEU . 18.5 Cg_endo -74.91 -78.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.774 ' HA ' HG23 ' A' ' 110' ' ' ILE . 26.4 t 70.24 31.06 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.971 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.48 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 78.2 p -171.89 131.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.61 34.54 63.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.806 HD12 HG11 ' A' ' 69' ' ' VAL . 9.9 mt -90.6 -148.2 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 109.385 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -166.86 163.95 16.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.963 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.421 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 17.8 p-10 -61.3 87.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.456 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 110.39 34.36 2.31 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.524 1.14 . . . . 0.0 111.053 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.9 HG22 HG13 ' A' ' 19' ' ' VAL . 1.5 m -86.43 94.69 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.407 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.5 t -75.73 98.75 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.9 HG13 HG22 ' A' ' 17' ' ' THR . 13.1 m -115.64 174.24 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -72.88 148.17 44.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.969 HG13 ' O ' ' A' ' 6' ' ' THR . 76.3 t -145.15 140.67 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -136.46 157.63 46.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.91 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 100.28 -172.53 24.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.428 1.08 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.762 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 141.56 -153.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.39 -6.02 7.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.463 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER 46.95 64.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 0.783 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 21.4 mt-30 -90.46 -100.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.249 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 174.14 80.39 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.632 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . 73.13 22.59 78.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 31' ' ' ALA . 90.1 m -90.04 174.04 7.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 110.377 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.515 ' N ' HG22 ' A' ' 30' ' ' THR . . . -93.62 149.09 21.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.589 ' O ' HD12 ' A' ' 97' ' ' LEU . 9.9 m-85 -144.0 78.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -49.62 127.77 16.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.653 HG21 ' CB ' ' A' ' 53' ' ' SER . 58.2 t -50.8 146.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.555 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -114.89 -90.27 1.71 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.549 1.156 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.922 ' NE2' HG22 ' A' ' 95' ' ' VAL . 0.9 OUTLIER 72.58 113.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.783 . . . . 0.0 110.35 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 43.9 m -129.36 -179.3 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 108.324 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -155.32 177.03 11.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.512 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 2.2 t-105 -111.16 136.24 50.51 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.974 HG13 ' CH2' ' A' ' 83' ' ' TRP . 43.0 t -71.53 -101.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.749 ' N ' HG12 ' A' ' 40' ' ' VAL . 2.9 t0 -173.74 35.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.872 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.0 OUTLIER 178.66 84.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 110.414 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 42' ' ' THR . . . 34.4 33.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 42' ' ' THR . 39.6 t -122.76 144.39 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -122.17 120.3 33.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -105.92 110.59 22.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.533 ' O ' ' CA ' ' A' ' 75' ' ' GLY . 1.1 m -78.36 173.62 12.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 108.261 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 8.3 t-20 -119.45 72.57 14.43 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.503 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.02 39.93 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -128.1 -2.67 5.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -46.9 -59.35 3.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.069 . . . . 0.0 109.266 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.422 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 70.81 -8.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.653 ' CB ' HG21 ' A' ' 34' ' ' VAL . 8.5 m -80.3 165.74 22.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.976 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 10.4 p -152.46 139.79 19.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.879 HG23 ' HB ' ' A' ' 65' ' ' THR . 8.3 p -122.45 155.82 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -114.33 139.86 49.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.632 ' HB3' ' H ' ' A' ' 29' ' ' GLY . . . -59.92 -176.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.692 ' O ' ' C ' ' A' ' 59' ' ' ALA . 54.2 p30 -142.29 131.94 24.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.692 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -7.94 77.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.689 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.0 t30 151.54 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.558 ' CA ' ' HB1' ' A' ' 57' ' ' ALA . . . 124.06 -14.13 7.95 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.39 1.056 . . . . 0.0 111.035 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -70.32 130.52 42.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.908 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.91 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.83 162.97 25.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.2 p -164.96 112.31 1.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.879 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.11 172.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.395 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 90.7 p -89.06 116.31 27.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.163 . . . . 0.0 109.977 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.698 ' HB2' HG21 ' A' ' 21' ' ' VAL . 4.8 mp -101.94 151.84 21.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.412 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -85.3 96.64 9.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.347 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.108 HG12 ' CE2' ' A' ' 112' ' ' PHE . 6.3 t -76.4 65.44 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.527 ' NH2' ' CB ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -67.38 148.29 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.607 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 7.3 ttm180 -118.4 -73.52 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -67.1 102.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.607 ' CD2' ' O ' ' A' ' 71' ' ' ARG . 10.9 p90 -165.46 -177.59 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HB3' ' N ' ' A' ' 85' ' ' THR . 1.1 pt-20 -123.6 114.12 19.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -86.97 -166.21 42.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 2.8 m-85 -133.15 137.32 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.617 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -39.03 -59.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.617 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.974 ' CH2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -104.76 -86.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 107.994 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 163.97 141.13 3.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 85' ' ' THR . 10.2 t -69.07 73.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.413 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 87' ' ' ASP . 11.5 p -109.52 163.64 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.601 1.188 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.422 ' O ' ' HB ' ' A' ' 90' ' ' THR . 5.8 m-20 -77.21 106.17 8.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.654 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -43.16 -33.93 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.359 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.424 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 4.0 m -50.13 -25.93 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.2 m -74.58 -24.33 58.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.44 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.586 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -127.16 27.77 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.586 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 24.86 59.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.251 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.616 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 15.5 p -48.04 177.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.464 ' HB2' ' C ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -136.28 159.88 40.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.015 HG21 HG13 ' A' ' 69' ' ' VAL . 2.8 t -125.51 116.05 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 106' ' ' GLU . . . -135.63 -171.14 12.28 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.561 1.163 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.78 HD23 ' HB2' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -110.91 152.3 26.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 0.753 . . . . 0.0 109.26 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.0 126.58 34.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 103' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.61 ' N ' ' ND2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.31 -128.81 7.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.083 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 116.39 4.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.403 ' CB ' ' HA3' ' A' ' 96' ' ' GLY . 19.4 mm-40 -101.77 -70.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' A' ' 108' ' ' VAL . . . 122.99 -157.45 17.51 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.155 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.818 ' O ' HD12 ' A' ' 110' ' ' ILE . 15.2 t 82.39 71.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.326 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.09 111.83 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 108' ' ' VAL . 1.8 mp -103.83 144.78 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -87.77 100.94 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.108 ' CE2' HG12 ' A' ' 69' ' ' VAL . 41.1 m-85 -91.28 136.53 33.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 53.9 t30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 179.982 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.497 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -103.76 166.55 10.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.932 ' HA ' HG11 ' A' ' 108' ' ' VAL . 3.4 p -153.17 159.74 42.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.912 HG23 HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -103.32 133.29 47.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.602 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.07 -61.55 0.48 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 0.0 110.425 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.602 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.06 -86.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.83 ' HA ' HG23 ' A' ' 110' ' ' ILE . 1.1 p 87.55 22.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.509 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 13.9 p -171.29 134.91 0.92 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.908 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.81 37.26 83.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.753 HD12 HG11 ' A' ' 69' ' ' VAL . 2.5 mt -77.16 -146.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 0.706 . . . . 0.0 109.379 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.473 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.7 t -165.78 162.22 18.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.413 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 8.0 p-10 -55.44 87.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.438 1.086 . . . . 0.0 109.357 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.492 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 96.78 42.24 3.39 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 17' ' ' THR . 1.0 OUTLIER -73.43 89.0 1.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 110.391 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.3 t -76.58 85.38 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.56 HG23 HG22 ' A' ' 7' ' ' VAL . 17.1 m -108.69 172.18 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -70.03 146.47 51.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.912 HG23 HG23 ' A' ' 7' ' ' VAL . 1.3 t -139.98 148.2 23.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -143.61 151.04 39.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.777 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 103.68 -172.68 21.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 144.65 -154.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.72 -3.08 8.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER 46.69 59.65 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 0.789 . . . . 0.0 109.298 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.612 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.8 mm-40 -80.64 -97.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.432 1.083 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 169.03 102.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.53 25.71 2.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.64 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 94.9 m -97.47 166.73 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.69 147.28 33.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.552 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 4.1 m-85 -146.12 78.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.47 138.46 46.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.746 HG21 ' CB ' ' A' ' 53' ' ' SER . 34.9 t -57.49 159.39 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.565 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -121.76 -88.8 0.98 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.577 ' CB ' ' NH2' ' A' ' 70' ' ' ARG . 3.6 tp60 73.64 105.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 0.729 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.565 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 15.9 m -122.56 -179.36 4.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 108.339 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -145.25 99.47 3.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.722 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -62.81 148.37 47.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.807 HG11 ' CZ2' ' A' ' 83' ' ' TRP . 14.9 t -132.24 -123.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB2' HG21 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -57.66 177.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.3 m -67.17 90.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.1 -19.35 15.28 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.018 HG13 HD11 ' A' ' 77' ' ' LEU . 44.1 t -78.42 123.96 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 2.4 tt -134.82 125.32 26.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.741 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -110.27 93.97 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.565 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -75.48 156.33 35.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.246 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.54 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -116.06 80.15 8.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.95 31.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -123.23 0.16 8.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.632 ' C ' ' H ' ' A' ' 53' ' ' SER . 1.7 p-10 -38.61 -39.91 0.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.601 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 3.0 m-85 65.23 -15.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.746 ' CB ' HG21 ' A' ' 34' ' ' VAL . 27.7 m -79.65 162.07 25.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.4 p -157.5 148.29 21.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 109.932 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.641 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -134.98 164.73 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.505 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 2.0 m -112.64 151.35 30.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.812 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -84.62 153.71 23.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.58 ' O ' ' N ' ' A' ' 60' ' ' ASN . 3.5 p30 -117.18 118.77 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.47 -91.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.7 m-20 -40.57 -43.83 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.812 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 125.81 5.41 6.39 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.465 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -72.39 127.7 33.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 109.98 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -77.01 149.88 35.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.449 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 51.8 p -144.06 109.1 4.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.502 ' CG2' ' HB ' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -179.49 167.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.443 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 93.0 p -89.7 130.4 35.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.958 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.848 HD22 HG11 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -114.34 150.71 34.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.467 ' O ' ' OE1' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -90.95 97.63 11.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.094 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.5 t -75.75 63.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.577 ' NH2' ' CB ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -51.54 144.45 10.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.235 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 88' ' ' CYS . 8.7 tmm_? -112.09 -60.88 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.9 p -74.89 88.82 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.632 ' CD2' ' N ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -178.9 -169.68 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.868 ' HG2' HG12 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -158.68 160.34 36.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.578 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -114.69 -162.61 14.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.588 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 3.7 m-85 -112.56 139.17 48.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.018 HD11 HG13 ' A' ' 44' ' ' VAL . 1.2 mm? -51.22 -47.7 62.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.497 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.7 t80 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.588 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.807 ' CZ2' HG11 ' A' ' 40' ' ' VAL . 66.5 m95 -81.07 -71.15 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.409 ' C ' ' HB2' ' A' ' 74' ' ' GLU . . . 129.26 -103.74 0.61 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER -148.06 99.66 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.78 . . . . 0.0 110.381 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.868 HG12 ' HG2' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -125.0 174.67 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.42 ' H ' HG22 ' A' ' 86' ' ' VAL . 61.9 m-20 -77.47 102.34 6.85 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.904 ' O ' HG22 ' A' ' 89' ' ' THR . 2.8 t -71.46 -142.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 108.301 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.904 HG22 ' O ' ' A' ' 88' ' ' CYS . 10.9 t 56.16 -5.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.128 . . . . 0.0 110.465 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.724 ' H ' ' C ' ' A' ' 88' ' ' CYS . 0.7 OUTLIER -103.16 -34.99 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.36 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.722 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -98.58 -8.14 26.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 72.03 91.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.263 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.645 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -82.51 176.14 9.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 108.32 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.633 ' NE2' ' CE3' ' A' ' 39' ' ' TRP . 7.2 pm0 -143.16 156.07 44.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.858 ' O ' HG12 ' A' ' 108' ' ' VAL . 41.2 t -129.34 112.31 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' HA3' ' HA2' ' A' ' 107' ' ' GLY . . . -139.34 177.37 20.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.52 ' HG ' ' CG1' ' A' ' 55' ' ' VAL . 1.6 mm? -103.48 154.95 18.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.509 0.77 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.5 t -158.4 121.91 3.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.97 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.552 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -167.73 -126.79 0.86 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.429 1.08 . . . . 0.0 110.991 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.401 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -75.05 120.09 5.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 167.45 43.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 110.225 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.467 ' HA3' ' CG ' ' A' ' 94' ' ' GLN . . . -67.68 175.61 26.17 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.932 HG11 ' HA ' ' A' ' 6' ' ' THR . 3.3 p -102.03 123.97 55.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.541 0.789 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.27 108.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.83 HG23 ' HA ' ' A' ' 10' ' ' SER . 9.8 mt -113.34 148.98 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.509 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -91.0 107.05 18.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.094 ' CE2' HG12 ' A' ' 69' ' ' VAL . 45.8 m-85 -85.29 131.52 34.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 1.188 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 41.2 t30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 179.99 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.494 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 3.6 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.939 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -72.88 132.67 43.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.505 HG23 ' C ' ' A' ' 5' ' ' ALA . 52.1 p -156.01 152.6 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.134 HG22 HG22 ' A' ' 21' ' ' VAL . 2.1 t -106.91 118.41 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.793 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -21.44 -71.69 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.394 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.793 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.0 Cg_endo -75.12 -90.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.677 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.8 p 88.0 32.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.532 ' O ' HD23 ' A' ' 13' ' ' LEU . 81.1 p -167.87 146.99 4.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.964 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.88 40.98 50.91 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.899 HD12 HG11 ' A' ' 69' ' ' VAL . 11.9 mt -90.09 -148.77 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.448 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.4 OUTLIER -165.05 164.54 20.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.999 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.472 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 6.4 p-10 -58.2 101.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.87 35.47 6.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 69' ' ' VAL . 2.0 m -79.72 85.85 5.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 0.753 . . . . 0.0 110.459 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 8.0 t -73.22 100.79 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -118.21 170.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -66.31 124.82 23.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.134 HG22 HG22 ' A' ' 7' ' ' VAL . 45.0 t -122.39 143.08 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.217 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.16 162.71 34.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.905 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 83.68 -163.97 40.89 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.939 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . . . 143.65 -136.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' C ' ' OH ' ' A' ' 32' ' ' TYR . . . -76.14 0.47 62.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 40.96 61.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.639 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.1 tp60 -86.01 -97.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 166.59 99.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 42.17 57.41 3.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.679 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -136.74 152.65 50.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 0.77 . . . . 0.0 110.414 179.948 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.24 146.73 14.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.781 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 1.6 m-85 -146.87 80.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -57.45 123.48 15.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.576 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 70.7 t -65.21 155.45 6.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -130.36 -157.96 9.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.597 ' CD ' HG22 ' A' ' 95' ' ' VAL . 1.0 OUTLIER 159.11 114.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.541 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 29.0 m -128.7 175.86 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 108.327 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.588 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -130.94 138.61 49.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.898 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -104.87 109.68 21.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 107.997 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.938 HG11 ' CZ2' ' A' ' 83' ' ' TRP . 76.8 t -84.31 -104.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.692 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -92.58 35.39 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 69.45 -58.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 42' ' ' THR . . . -65.36 -16.68 63.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.529 HG12 ' HE1' ' A' ' 83' ' ' TRP . 3.5 t -120.77 122.7 68.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.588 HD23 ' O ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -126.1 121.53 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.355 1.034 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.867 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -98.9 95.84 7.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.541 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -73.35 156.05 38.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 108.347 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 24.8 t-20 -113.93 89.15 15.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -74.92 34.86 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.526 1.803 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -135.06 6.87 3.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.235 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.503 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -39.69 -46.18 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.19 -59.67 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.576 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.7 m -31.88 145.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.0 p -155.39 141.0 17.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.614 1.196 . . . . 0.0 109.954 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.83 HG21 ' HB ' ' A' ' 65' ' ' THR . 0.7 OUTLIER -143.2 -163.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.655 ' N ' HG13 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -139.24 170.25 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.406 179.935 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.781 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -92.96 160.46 14.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.662 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.8 p30 -119.49 118.3 30.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 33.02 -88.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.253 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.662 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.1 m-20 -40.68 -45.51 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.767 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 124.33 4.71 7.55 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.066 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -81.51 140.41 34.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.987 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.905 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -82.39 161.12 22.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.456 ' O ' ' HB ' ' A' ' 65' ' ' THR . 79.7 p -158.77 105.86 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.024 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.83 ' HB ' HG21 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.43 170.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.456 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.7 m -85.79 125.14 33.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.817 HD22 HG11 ' A' ' 21' ' ' VAL . 8.6 mp -115.51 141.24 48.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.361 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.649 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 6.7 t -80.47 106.86 12.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.156 HG12 ' CE2' ' A' ' 112' ' ' PHE . 4.5 t -75.99 65.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.649 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -47.35 139.02 6.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.934 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.472 ' HB3' ' HA ' ' A' ' 15' ' ' ASP . 7.0 ttp180 -109.1 -74.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 p -88.18 116.44 26.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.941 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 84' ' ' GLY . 26.2 p90 -156.44 -173.79 4.65 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 74' ' ' GLU . 4.4 tm-20 -113.5 93.79 4.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.533 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -94.87 148.74 19.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.68 ' CZ ' ' HA ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -110.29 138.46 46.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 0.766 . . . . 0.0 110.978 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 9.9 mp -37.62 -64.22 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.68 ' HA ' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 111.031 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.437 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 3.7 ptt85 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.938 ' CZ2' HG11 ' A' ' 40' ' ' VAL . 60.5 m95 -73.36 -103.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 164.52 174.88 34.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.425 1.078 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.9 m -63.96 69.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.366 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 84' ' ' GLY . 9.5 p -109.77 165.0 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.19 112.16 16.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.54 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.2 p -67.36 -29.02 68.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 108.27 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.403 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -47.03 -23.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.451 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.404 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -75.12 -24.72 58.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.424 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.898 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -123.42 10.93 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.607 1.192 . . . . 0.0 109.308 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 43.33 91.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.634 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 1.7 p -70.99 -170.74 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 108.328 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 17.1 pm0 -145.08 149.18 34.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.636 HG21 ' HA ' ' A' ' 69' ' ' VAL . 87.5 t -126.64 114.35 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -132.33 157.74 22.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.409 1.068 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.693 ' CD2' HG12 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -92.08 151.97 20.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.763 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -134.85 146.02 48.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.584 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.584 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 94.92 176.15 38.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.56 42.6 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -109.64 -67.2 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.99 18.29 5.59 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 108' ' ' VAL . 3.5 t -76.25 75.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.02 112.85 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 1.009 HG21 HG11 ' A' ' 69' ' ' VAL . 6.7 mt -111.07 146.57 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.224 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.516 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -87.7 105.53 17.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.156 ' CE2' HG12 ' A' ' 69' ' ' VAL . 17.6 m-85 -96.62 132.57 42.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.342 179.995 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.404 ' CG2' ' HB3' ' A' ' 106' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . . . -104.97 170.62 7.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.765 ' O ' HG13 ' A' ' 21' ' ' VAL . 34.4 p -152.06 156.04 39.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.048 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.3 t -107.75 136.54 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.543 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.06 -59.29 0.81 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.943 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.048 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.9 -161.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.78 . . . . 0.0 111.045 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.0 t -152.22 20.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.946 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.607 ' O ' HD12 ' A' ' 13' ' ' LEU . 51.9 p -171.78 60.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.623 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -40.6 -26.98 0.15 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.63 1.206 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 11' ' ' SER . 1.2 mt 50.61 -82.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.623 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -40.65 117.22 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.525 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 65.7 t0 -53.17 108.74 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.435 1.084 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 90.36 34.58 7.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.74 ' O ' HG23 ' A' ' 69' ' ' VAL . 1.8 m -64.28 85.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.794 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.554 HG22 ' CB ' ' A' ' 68' ' ' THR . 3.3 t -70.8 88.6 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.557 1.161 . . . . 0.0 109.242 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -113.0 170.24 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.383 179.851 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -61.84 141.03 58.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.872 HG22 HG13 ' A' ' 7' ' ' VAL . 66.8 t -142.09 140.8 29.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.1 160.62 39.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.201 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.872 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 92.68 -171.24 33.03 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.778 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 147.0 -144.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 0.777 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.05 0.96 27.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.578 HD11 ' OD1' ' A' ' 60' ' ' ASN . 1.3 tp 43.78 64.15 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.399 0.706 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.708 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 11.7 tp60 -79.78 -99.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 161.26 74.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.75 69.25 1.43 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 m -155.43 160.35 40.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 0.743 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.2 151.76 22.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.803 ' HB3' HD22 ' A' ' 97' ' ' LEU . 1.1 m-85 -151.46 80.02 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.9 OUTLIER -58.97 129.89 44.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.566 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 27.5 t -64.95 160.52 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -150.54 153.01 24.78 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.874 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -148.67 121.18 8.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.33 179.948 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 25.2 m -125.52 178.41 5.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.568 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -146.42 110.74 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -85.73 123.29 30.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 108.027 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.751 HG11 ' CZ2' ' A' ' 83' ' ' TRP . 79.1 t -110.3 -27.97 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.552 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -164.62 -165.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.6 m -60.88 -53.21 60.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 110.416 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.15 27.97 8.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.428 1.08 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.491 HG12 ' HB ' ' A' ' 40' ' ' VAL . 5.3 t -121.18 43.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 39' ' ' TRP . 1.5 tt -94.58 97.61 10.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.562 ' HB1' ' N ' ' A' ' 76' ' ' PHE . . . -87.79 110.45 20.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 m -85.99 162.03 18.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.562 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 15.3 t-20 -115.27 88.93 19.49 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 38.84 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -138.34 7.95 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.508 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -38.86 -42.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.49 -60.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.566 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.8 m -34.24 151.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.407 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 63.4 p -164.56 143.39 7.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.969 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.4 p -148.91 -156.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.728 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.2 m -142.14 168.79 18.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.585 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -78.3 -177.77 5.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.704 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.3 p30 -139.04 134.44 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.704 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.23 81.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.357 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.632 ' N ' ' O ' ' A' ' 58' ' ' ASP . 6.2 t30 147.59 -35.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.585 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 117.44 -4.53 17.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -78.52 131.28 36.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.962 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.872 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -77.56 164.94 24.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.7 p -162.17 113.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.007 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.969 ' HB ' HG21 ' A' ' 55' ' ' VAL . 0.4 OUTLIER 175.47 175.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.561 ' N ' HG23 ' A' ' 65' ' ' THR . 19.2 m -89.7 125.53 35.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.851 ' HB2' HG21 ' A' ' 21' ' ' VAL . 7.7 mp -113.83 136.29 53.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.559 ' O ' HG23 ' A' ' 68' ' ' THR . 7.4 t -82.57 100.54 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.297 -179.88 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.128 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.6 t -70.11 64.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.229 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.539 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -46.51 130.89 11.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 110.234 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.619 ' CG ' ' CG2' ' A' ' 89' ' ' THR . 2.3 ttm180 -90.7 -72.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.1 t -97.9 126.47 43.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.025 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.462 ' CD1' ' ND2' ' A' ' 48' ' ' ASN . 37.5 p90 -163.68 -174.7 3.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 74' ' ' GLU . 4.0 pt-20 -96.61 118.04 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.495 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -113.57 153.86 17.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.562 ' N ' ' HB1' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -145.47 142.02 28.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.78 . . . . 0.0 110.995 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.615 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 11.2 mp -57.23 -61.95 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.615 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.4 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 8.3 ptt180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.751 ' CZ2' HG11 ' A' ' 40' ' ' VAL . 94.2 m95 -93.85 -74.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 107.999 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.592 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 84.1 142.23 5.22 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 20.57 80.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 110.353 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.02 153.65 10.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.403 ' O ' ' HB ' ' A' ' 90' ' ' THR . 2.5 p30 -78.43 112.75 15.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . 0.6 OUTLIER -64.37 -25.74 68.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 108.341 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.619 ' CG2' ' CG ' ' A' ' 71' ' ' ARG . 4.7 p -50.57 -21.58 1.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.387 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -75.52 -23.27 56.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.376 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -130.89 18.26 5.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.476 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 33.82 80.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.613 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 1.7 p -54.49 -174.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 108.361 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.457 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 18.7 pm0 -144.59 144.16 31.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.032 ' O ' HG12 ' A' ' 108' ' ' VAL . 8.2 p -120.62 126.06 74.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.12 -168.86 11.39 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -126.13 149.15 49.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.333 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -141.53 154.61 45.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.419 ' ND2' ' H ' ' A' ' 104' ' ' GLY . 17.6 t30 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.419 ' H ' ' ND2' ' A' ' 103' ' ' ASN . . . 93.03 156.72 33.0 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.437 1.086 . . . . 0.0 111.017 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -75.04 143.78 29.33 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.7 mt-10 161.17 72.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.411 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -104.55 175.34 22.53 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 1.032 HG12 ' O ' ' A' ' 95' ' ' VAL . 7.2 p -98.39 120.31 47.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.519 0.776 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.4 114.43 3.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.674 HG21 HG11 ' A' ' 69' ' ' VAL . 25.3 mt -117.55 154.8 19.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.246 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.91 102.48 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.015 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.128 ' CE2' HG12 ' A' ' 69' ' ' VAL . 40.2 m-85 -93.06 162.7 13.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.565 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 19.0 t30 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.153 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 97' ' ' LEU . . . -104.14 150.82 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.904 ' HA ' HG21 ' A' ' 108' ' ' VAL . 5.6 p -148.4 158.88 44.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.803 ' CG2' HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -105.56 127.15 60.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.419 1.075 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.644 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -34.08 -62.5 0.37 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.806 ' HG2' HG21 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.05 -162.77 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.796 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.1 t 159.42 36.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.649 ' O ' HD23 ' A' ' 13' ' ' LEU . 6.6 t -166.95 138.79 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.94 25.85 46.57 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.575 1.172 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.727 HD12 HG21 ' A' ' 110' ' ' ILE . 6.1 mt -79.33 -95.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.76 . . . . 0.0 109.306 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.541 ' CB ' ' HB2' ' A' ' 71' ' ' ARG . 17.3 t 48.86 -171.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.941 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.501 ' N ' ' OG ' ' A' ' 14' ' ' SER . 20.9 t0 52.07 33.21 11.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 70' ' ' ARG . . . 57.31 44.93 93.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 111.042 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.937 HG23 HG13 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -54.5 88.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 110.42 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.4 t -72.18 76.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.937 HG13 HG23 ' A' ' 17' ' ' THR . 2.6 m -87.83 -170.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.374 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -92.73 138.76 31.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -126.66 142.78 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.52 153.82 45.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.943 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 100.61 -173.82 25.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.764 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 143.36 -159.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.46 -5.13 4.53 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.513 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 45.9 66.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.63 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 4.6 tp60 -88.57 -100.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 166.78 78.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.19 66.01 1.99 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -142.89 169.4 17.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.4 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.427 ' N ' HG23 ' A' ' 30' ' ' THR . . . -83.37 148.35 27.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.779 ' HB3' HD21 ' A' ' 97' ' ' LEU . 4.9 m-85 -145.13 76.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.49 141.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.791 HG13 ' CD1' ' A' ' 67' ' ' LEU . 2.3 t -79.04 150.53 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.534 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -123.9 -169.5 13.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 2.1 tp60 158.0 108.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 110.305 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.537 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 36.0 m -121.38 -179.45 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 108.284 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.954 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -143.84 97.69 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 1.033 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 2.2 t90 -61.28 125.12 22.62 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 41' ' ' ASP . 57.6 t -110.7 -104.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.468 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.5 t0 -60.17 -160.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 m -80.61 -37.58 30.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.32 27.44 6.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.006 HG13 HD13 ' A' ' 77' ' ' LEU . 39.7 t -125.86 127.76 71.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.786 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.721 HD12 ' CG ' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -136.35 99.53 4.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.809 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -69.81 89.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.537 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -74.14 158.68 33.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 108.263 -179.944 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 36.4 t30 -117.14 77.7 9.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.06 35.03 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -134.11 6.62 3.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -47.88 -47.54 31.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 10.3 m-85 71.93 -40.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.547 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.1 m -42.21 165.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 110.028 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.2 p -160.59 147.93 15.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.953 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.834 ' HB ' HG21 ' A' ' 65' ' ' THR . 1.4 p -135.31 164.9 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.479 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.7 m -127.66 152.8 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -67.09 -179.03 0.87 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.718 ' O ' ' N ' ' A' ' 60' ' ' ASN . 56.1 p30 -141.5 134.77 29.44 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.679 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -12.37 79.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.718 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.7 t30 151.3 -36.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.513 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 120.58 -13.05 10.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.6 OUTLIER -73.25 135.67 44.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.989 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.943 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -82.35 157.36 23.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.49 ' O ' ' HB ' ' A' ' 65' ' ' THR . 97.3 p -160.55 119.11 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.152 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.834 HG21 ' HB ' ' A' ' 55' ' ' VAL . 11.3 t -178.66 -138.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.658 ' N ' HG23 ' A' ' 65' ' ' THR . 41.5 m -138.7 139.9 38.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.791 ' CD1' HG13 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -118.78 137.01 53.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.729 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -87.11 92.5 9.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.01 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.9 t -68.14 66.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.729 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -61.79 131.78 50.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.568 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -94.58 -76.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.79 103.96 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.001 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.653 ' CE1' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -152.23 -179.72 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.461 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 1.2 pm0 -110.31 98.21 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.79 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -84.62 158.32 33.68 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.437 1.085 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 4.2 m-85 -119.91 137.26 54.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.006 HD13 HG13 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -36.33 -59.47 0.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.622 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.7 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.559 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 5.7 ppt_? . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.809 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 16.9 m95 -61.74 -90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 110.44 151.56 12.94 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.771 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 16.07 77.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.575 0.809 . . . . 0.0 110.386 179.913 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.3 p -128.17 141.73 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.549 ' HB3' HG22 ' A' ' 89' ' ' THR . 0.4 OUTLIER -83.36 103.68 12.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.653 ' SG ' ' CE1' ' A' ' 73' ' ' PHE . 2.1 m -47.76 -40.72 21.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.549 HG22 ' HB3' ' A' ' 87' ' ' ASP . 6.6 t -51.71 -21.45 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 37.1 m -84.22 -19.0 34.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 1.033 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -134.53 25.84 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 28.72 86.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.954 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -52.12 -177.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 108.252 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.499 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 19.4 pm0 -156.08 139.1 15.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.752 HG13 HD12 ' A' ' 67' ' ' LEU . 1.9 t -105.92 127.81 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.55 171.61 23.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.852 HD13 ' N ' ' A' ' 98' ' ' SER . 1.1 tm? -90.51 154.47 19.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.852 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -134.21 99.94 4.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.234 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.694 HD21 ' N ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.02 -156.63 18.24 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.6 4.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.582 1.832 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 170.48 40.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.43 ' HA3' ' CG ' ' A' ' 94' ' ' GLN . . . -81.78 164.92 45.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.904 HG21 ' HA ' ' A' ' 6' ' ' THR . 42.4 t -92.03 108.12 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.92 100.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.799 HG21 HG11 ' A' ' 69' ' ' VAL . 4.2 mt -106.93 150.9 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.509 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -89.51 108.38 19.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.035 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.01 ' CE2' HG12 ' A' ' 69' ' ' VAL . 8.9 m-85 -95.67 127.91 42.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.99 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 1.045 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -98.5 175.36 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.783 ' O ' HG13 ' A' ' 21' ' ' VAL . 22.5 p -152.26 153.71 34.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 110.419 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.837 HG22 HG22 ' A' ' 21' ' ' VAL . 43.8 t -110.44 122.56 65.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.764 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -33.16 -69.47 0.14 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.826 ' HB2' HD21 ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.02 169.06 23.44 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.774 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.428 ' HA ' HG12 ' A' ' 110' ' ' ILE . 1.5 p -155.18 19.7 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.453 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 27.2 p 174.38 150.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.495 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 73.89 35.39 54.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.926 HD12 HG11 ' A' ' 69' ' ' VAL . 5.5 mt -99.16 -151.06 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -160.03 164.37 33.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' CB ' ' HG3' ' A' ' 71' ' ' ARG . 22.0 t0 -63.16 92.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.421 ' H ' ' HA ' ' A' ' 70' ' ' ARG . . . 109.76 32.03 3.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.709 HG21 ' HB3' ' A' ' 13' ' ' LEU . 1.1 m -77.36 78.3 3.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.786 . . . . 0.0 110.374 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.655 HG12 ' HB3' ' A' ' 66' ' ' SER . 10.8 t -64.81 81.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.805 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -94.69 166.3 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -66.48 142.89 57.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.921 HG11 HD22 ' A' ' 67' ' ' LEU . 75.7 t -140.37 144.09 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -146.94 154.04 40.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.775 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 104.82 176.17 24.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 154.37 -160.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 0.725 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.09 -2.59 5.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.569 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.1 tp 47.41 68.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.664 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.1 tm0? -98.33 -86.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 164.53 84.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.645 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 71.72 6.9 64.1 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.427 ' OG1' ' OE1' ' A' ' 27' ' ' GLN . 98.3 m -65.42 167.85 8.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.407 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.523 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -91.36 145.03 24.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.809 ' HD2' ' HB2' ' A' ' 63' ' ' ALA . 14.8 m-85 -142.75 77.96 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -52.1 125.27 15.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.765 HG22 HD21 ' A' ' 97' ' ' LEU . 63.5 t -68.3 152.66 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.573 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -133.51 -174.6 13.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.661 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -178.48 113.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.52 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 4.0 m -122.47 168.86 11.6 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.484 1.115 . . . . 0.0 108.295 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -139.84 110.31 6.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.488 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -74.98 116.03 15.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 107.974 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 t -102.42 -26.99 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.476 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 2.1 t70 -172.45 54.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.639 HG22 ' N ' ' A' ' 43' ' ' GLY . 1.1 m 63.12 -85.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.639 ' N ' HG22 ' A' ' 42' ' ' THR . . . -72.52 -2.61 55.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.386 1.054 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 3.7 t -111.67 46.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -94.85 108.85 20.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.734 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -77.56 103.19 7.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.52 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -81.44 145.0 30.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 108.307 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.718 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 40.5 t30 -117.5 78.48 11.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.426 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -75.03 7.3 2.94 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' C ' ' N ' ' A' ' 52' ' ' PHE . . . -96.34 -2.14 46.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.61 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -38.39 -31.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.948 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.61 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 7.7 m-85 65.24 -52.11 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -36.5 149.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.041 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 p -153.76 139.31 17.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.919 HG23 ' HB ' ' A' ' 65' ' ' THR . 7.7 p -122.85 153.54 27.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 57' ' ' ALA . 1.6 m -108.56 150.22 27.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 110.484 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.645 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -73.1 174.71 7.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.0 p30 -135.17 121.6 20.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.525 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.19 -88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.241 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.658 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.7 m-20 -38.34 -46.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.591 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 129.37 -1.71 6.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 49.4 m -77.54 141.71 39.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.787 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.809 ' HB2' ' HD2' ' A' ' 32' ' ' TYR . . . -79.76 159.6 26.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.428 ' O ' ' HB ' ' A' ' 65' ' ' THR . 79.1 p -159.05 110.43 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.919 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.96 174.55 0.68 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.655 ' HB3' HG12 ' A' ' 18' ' ' VAL . 5.6 m -92.27 131.35 37.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.963 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.921 HD22 HG11 ' A' ' 21' ' ' VAL . 5.8 mp -113.56 134.49 54.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.834 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 1.1 t -75.82 97.82 4.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.926 HG11 HD12 ' A' ' 13' ' ' LEU . 23.2 t -70.53 60.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.834 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -65.13 143.79 57.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.669 ' HB3' ' CG ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -111.69 -72.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 96.1 p -66.11 82.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CE1' ' HB2' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -137.17 150.53 47.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.419 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 16.1 pt-20 -77.75 116.57 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.582 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -113.73 158.36 14.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.571 1.169 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 4.9 m-85 -116.17 136.46 52.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.621 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 11.2 mp -39.15 -61.99 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.621 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.0 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.734 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 67.9 m95 -89.93 -75.83 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 107.955 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 112.93 139.17 7.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.749 ' O ' HG23 ' A' ' 85' ' ' THR . 5.2 t 31.26 52.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.9 t -75.65 109.36 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.553 ' O ' ' N ' ' A' ' 90' ' ' THR . 31.1 m-20 -69.39 95.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 1.296 ' SG ' ' SG ' ' A' ' 93' ' ' CYS . 62.0 m -43.21 -48.59 6.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 108.276 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 112' ' ' PHE . 2.4 t -49.32 -28.78 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.473 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.553 ' N ' ' O ' ' A' ' 87' ' ' ASP . 61.9 m -69.37 -28.24 66.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.596 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -138.74 36.86 2.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.596 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 23.33 65.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 1.296 ' SG ' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -53.65 -175.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 108.305 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.539 HE21 ' N ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -138.1 161.32 37.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.661 HG23 ' HG2' ' A' ' 36' ' ' GLN . 4.7 p -132.95 110.86 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.278 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -124.48 173.24 16.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.045 HD12 ' HB2' ' A' ' 5' ' ' ALA . 12.6 mt -96.1 153.57 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -132.43 121.21 23.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 1.1 p30 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.519 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 69.99 -176.77 32.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.148 . . . . 0.0 110.961 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -166.26 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.8 -62.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 129.45 39.58 0.29 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.749 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.3 t -100.09 72.64 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 109.346 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.79 109.95 3.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.777 HG21 HD12 ' A' ' 13' ' ' LEU . 28.9 mt -110.42 143.87 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.453 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 1.1 m -93.57 108.7 20.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.823 ' CE2' HG12 ' A' ' 69' ' ' VAL . 15.5 m-85 -90.25 124.02 34.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.977 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . -104.39 163.93 12.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.914 ' O ' HG13 ' A' ' 21' ' ' VAL . 18.2 p -149.45 155.12 39.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.975 HG13 HG22 ' A' ' 21' ' ' VAL . 2.3 t -96.71 135.9 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.54 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.6 -58.7 0.99 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.932 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.01 177.78 8.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.558 1.82 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.708 ' C ' HG23 ' A' ' 110' ' ' ILE . 24.0 p -156.03 16.88 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.44 ' N ' HG23 ' A' ' 110' ' ' ILE . 12.3 p 167.67 160.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.14 38.01 91.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.864 HD12 HG11 ' A' ' 69' ' ' VAL . 5.1 mt -91.65 -147.64 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.461 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -158.96 163.7 36.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.96 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.512 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 35.2 t0 -58.29 95.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.538 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 93.21 38.72 5.3 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.619 ' O ' HG22 ' A' ' 17' ' ' THR . 1.0 OUTLIER -67.85 84.26 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 0.737 . . . . 0.0 110.441 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 16' ' ' GLY . 5.7 t -73.8 93.38 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.236 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.672 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -115.9 178.27 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -75.95 142.5 41.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.975 HG22 HG13 ' A' ' 7' ' ' VAL . 53.7 t -141.68 142.86 28.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.93 163.01 34.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.82 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 101.05 175.82 29.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 154.28 -155.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.1 -0.68 7.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.4 tp 47.31 62.92 2.18 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.483 ' CB ' ' OH ' ' A' ' 32' ' ' TYR . 7.5 tt0 -94.98 -99.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.6 90.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.35 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.577 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 55.8 15.68 10.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 1.7 m -70.95 169.57 14.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -87.61 142.9 27.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.885 ' HB3' HD23 ' A' ' 97' ' ' LEU . 11.5 m-30 -142.76 77.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -52.63 130.37 32.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.592 ' CG2' HD11 ' A' ' 67' ' ' LEU . 41.5 t -60.28 154.35 4.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.532 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -113.13 -81.09 1.04 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.137 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.542 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 5.4 tp60 72.88 99.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.494 0.761 . . . . 0.0 110.342 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.506 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 35.7 m -121.72 -177.28 3.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 108.297 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.606 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . . . -162.86 135.97 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.716 ' CG ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.61 170.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.66 HG22 ' CD1' ' A' ' 83' ' ' TRP . 69.5 t -139.4 -103.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.649 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -86.14 -171.91 3.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.0 m -72.84 89.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.452 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.81 -4.05 42.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.558 ' CG1' ' CD1' ' A' ' 77' ' ' LEU . 12.4 t -107.64 129.78 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.716 HD12 ' CG ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -124.86 148.46 48.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.616 ' HB2' HG21 ' A' ' 40' ' ' VAL . . . -125.47 126.9 45.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.506 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.6 m -90.6 170.01 10.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 108.342 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 14.1 t30 -116.9 78.07 9.12 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.386 1.054 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.08 35.23 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.497 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -128.76 -0.22 5.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 1.2 p30 -54.34 -59.51 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.544 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER 78.51 -24.08 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.593 1.183 . . . . 0.0 110.991 179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.585 ' HB3' HG21 ' A' ' 34' ' ' VAL . 1.9 m -53.54 158.18 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 110.073 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 22.5 t -155.31 143.1 19.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.043 HG23 ' HB ' ' A' ' 65' ' ' THR . 8.6 p -129.63 149.08 33.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.4 m -105.41 148.69 26.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.577 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -75.4 174.33 9.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.6 p30 -135.12 121.37 20.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.533 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.98 -89.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.075 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.642 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.7 m-20 -36.56 -46.49 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.524 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.89 0.46 6.04 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -78.36 137.14 37.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.049 179.925 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.82 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -76.22 158.37 31.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.5 p -157.96 112.61 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' THR . . . . . 1.043 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.22 174.95 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 75.1 m -92.04 127.52 37.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.793 ' HB2' HG21 ' A' ' 21' ' ' VAL . 2.3 mp -111.35 136.84 49.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.7 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -84.69 89.44 7.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.618 1.199 . . . . 0.0 110.356 -179.921 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.127 HG12 ' CE2' ' A' ' 112' ' ' PHE . 4.7 t -64.15 67.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.7 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -56.09 137.71 50.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.427 1.079 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.536 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.2 OUTLIER -97.19 -73.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.212 -179.908 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.491 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 4.9 t -87.25 131.54 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.966 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 85' ' ' THR . 17.3 p90 -179.66 -165.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.625 ' HA ' ' H ' ' A' ' 85' ' ' THR . 1.2 pm0 -115.83 133.96 55.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.18 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.02 -175.14 15.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 1.3 m-85 -138.33 140.22 39.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 0.731 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.593 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 4.3 mm? -48.54 -60.95 2.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.593 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.4 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.66 ' CD1' HG22 ' A' ' 40' ' ' VAL . 42.5 t-105 -167.67 -175.56 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 88.91 -103.99 3.04 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.748 ' O ' HG23 ' A' ' 85' ' ' THR . 0.8 OUTLIER 35.47 34.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.51 0.771 . . . . 0.0 110.456 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 72' ' ' SER . 0.3 OUTLIER -160.94 -177.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.498 ' HB3' HG22 ' A' ' 89' ' ' THR . 90.3 m-20 -78.05 97.51 5.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.536 ' SG ' ' O ' ' A' ' 71' ' ' ARG . 3.4 p -43.99 -28.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 108.294 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.534 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 1.5 t -49.92 -24.55 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.23 -24.4 63.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.53 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -115.74 38.29 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.53 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 30.41 58.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.696 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -44.0 165.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 108.264 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 12.5 pm0 -141.08 153.8 45.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.532 ' CG1' HD23 ' A' ' 67' ' ' LEU . 53.7 t -126.5 126.03 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -152.68 173.22 31.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.034 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -87.58 143.55 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 98' ' ' SER . . . . . 1.034 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -130.92 130.56 43.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.992 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.491 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 1.8 p30 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.491 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 81.26 -153.95 34.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 118.75 5.39 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 106' ' ' GLU . 5.4 mp0 -78.5 -99.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 94' ' ' GLN . . . 160.43 -157.11 28.48 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.8 HG12 ' O ' ' A' ' 108' ' ' VAL . 2.5 t 68.72 75.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.55 110.88 9.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.829 HG21 HD11 ' A' ' 13' ' ' LEU . 35.3 mt -114.03 147.12 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.9 OUTLIER -87.09 118.34 26.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.929 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.127 ' CE2' HG12 ' A' ' 69' ' ' VAL . 2.3 m-85 -97.42 17.77 16.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 39.4 t30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 179.983 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.407 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -105.39 148.49 27.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.465 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 5.5 p -136.07 156.56 48.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.804 HG22 ' HD2' ' A' ' 9' ' ' PRO . 2.7 p -114.64 146.34 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.465 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -42.45 -54.9 7.45 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.138 . . . . 0.0 110.376 179.941 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.88 ' CG ' HG21 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.94 -159.59 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.064 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 p -173.94 -24.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.506 ' O ' HD23 ' A' ' 13' ' ' LEU . 74.4 p -164.9 169.8 16.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 61.97 30.26 74.91 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.83 HD12 HG11 ' A' ' 69' ' ' VAL . 6.2 mt -88.97 -146.16 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 0.785 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.13 158.01 39.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.537 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 7.6 p-10 -57.04 100.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.46 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 92.0 36.76 6.23 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.705 ' O ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -69.66 84.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.36 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 16' ' ' GLY . 3.6 t -70.08 99.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.88 HG21 ' CG ' ' A' ' 9' ' ' PRO . 31.4 m -124.67 179.23 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 65' ' ' THR . 10.4 mttt -72.53 150.35 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.934 HG11 ' HG ' ' A' ' 67' ' ' LEU . 3.8 p -140.03 151.32 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -152.12 144.27 23.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.756 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 102.45 178.36 27.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 154.59 -157.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.37 0.39 3.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.609 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 4.0 tp 48.61 62.92 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.604 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 39.8 tp60 -83.29 -98.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.178 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 170.04 92.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.51 35.04 6.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.601 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 1.1 m -106.99 166.33 10.69 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.543 0.79 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.465 ' N ' ' CG2' ' A' ' 30' ' ' THR . . . -70.65 146.45 49.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.617 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 2.3 m-85 -142.11 78.91 1.65 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.42 121.53 8.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.748 ' CG1' HD13 ' A' ' 67' ' ' LEU . 59.3 t -59.74 159.36 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.41 ' HA2' ' CG ' ' A' ' 51' ' ' ASP . . . -151.58 138.47 6.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.845 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -128.65 117.7 21.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 0.783 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 4.9 m -128.39 172.47 11.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.269 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.821 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -145.78 141.87 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.56 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -91.99 134.08 35.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 108.017 -179.96 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.671 ' HB ' HG12 ' A' ' 44' ' ' VAL . 59.0 t -99.51 -113.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.597 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -150.3 137.94 19.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 42' ' ' THR . . . . . 1.083 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.9 OUTLIER 68.66 84.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.4 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' THR . . . 32.57 37.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.083 HG23 ' O ' ' A' ' 42' ' ' THR . 55.2 t -115.41 121.0 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -141.46 120.3 12.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.25 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -103.9 129.62 51.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 1.1 m -97.74 161.36 13.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.757 ' ND2' ' CE1' ' A' ' 73' ' ' PHE . 2.9 t30 -114.51 89.62 18.8 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -75.01 38.97 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.553 1.818 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.608 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -129.98 2.32 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -50.25 -53.45 28.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 16.3 m-85 68.37 -51.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.675 ' HB3' HG21 ' A' ' 34' ' ' VAL . 2.7 m -32.71 148.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 0.0 109.945 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.7 p -150.98 142.53 23.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.956 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.681 HG21 ' HB1' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -135.92 167.42 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.565 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.8 m -111.98 156.04 22.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.601 ' HB3' ' H ' ' A' ' 30' ' ' THR . . . -86.79 171.12 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.645 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.4 p30 -129.66 121.55 27.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.561 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 27.59 -89.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.645 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.4 m-20 -34.84 -47.52 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.609 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.39 2.94 6.83 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.5 m -86.06 142.88 28.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.956 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.681 ' HB1' HG21 ' A' ' 55' ' ' VAL . . . -76.07 158.66 31.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.503 ' O ' ' HB ' ' A' ' 65' ' ' THR . 53.4 p -161.13 110.01 1.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.558 HG23 ' N ' ' A' ' 66' ' ' SER . 5.2 t 179.16 -131.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.405 -179.933 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.558 ' N ' HG23 ' A' ' 65' ' ' THR . 53.8 p -140.66 126.89 19.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.934 ' HG ' HG11 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -112.01 152.61 27.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.907 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.8 t -91.48 95.73 10.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.006 HG11 HG21 ' A' ' 110' ' ' ILE . 21.2 t -66.27 65.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.907 ' NE ' HG23 ' A' ' 68' ' ' THR . 5.5 mtm180 -61.17 131.54 50.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.537 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 61.5 ttp180 -89.91 -76.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 86' ' ' VAL . 88.5 p -65.5 124.62 22.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.757 ' CE1' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -150.53 161.66 42.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.539 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -99.55 64.45 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -39.3 159.7 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.438 1.086 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 51.4 t80 -140.59 139.18 34.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.697 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 4.0 mm? -38.14 -62.94 0.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.697 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.41 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.454 ' CD1' ' HB ' ' A' ' 85' ' ' THR . 13.3 t-105 -110.48 -37.57 5.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 107.997 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.539 ' HA2' ' HA ' ' A' ' 74' ' ' GLU . . . 52.45 85.12 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 86' ' ' VAL . 5.9 t -95.06 12.93 26.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 0.761 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.761 HG13 ' N ' ' A' ' 87' ' ' ASP . 6.2 p 26.58 -139.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.23 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.761 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -37.69 93.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.939 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 93' ' ' CYS . 4.2 m -43.13 -33.12 0.82 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 108.336 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.479 HG22 ' CB ' ' A' ' 87' ' ' ASP . 9.7 t -49.83 -24.21 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.421 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.2 m -74.1 -25.92 60.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -129.24 19.04 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 34.22 51.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -52.19 -175.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 108.294 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.438 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 2.9 pm0 -137.68 159.37 42.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.845 HG23 ' HG2' ' A' ' 36' ' ' GLN . 10.0 p -133.41 98.55 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.409 ' HA3' ' HA2' ' A' ' 107' ' ' GLY . . . -118.41 -167.02 13.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.693 ' CD1' HD11 ' A' ' 67' ' ' LEU . 2.5 mp -103.94 161.67 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.1 t -157.0 120.48 4.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.617 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.4 t30 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.93 -88.01 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.4 Cg_endo -74.93 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.546 1.814 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.555 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 1.5 tp10 90.72 34.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.409 ' HA2' ' HA3' ' A' ' 96' ' ' GLY . . . -75.6 -175.46 37.79 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 110' ' ' ILE . 6.3 p -102.03 126.23 56.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 0.809 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.62 109.58 4.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 1.006 HG21 HG11 ' A' ' 69' ' ' VAL . 4.8 mt -107.64 139.45 29.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -99.68 97.52 8.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.029 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.916 ' CE2' HG12 ' A' ' 69' ' ' VAL . 6.1 m-85 -75.14 127.22 32.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 7.7 t-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.701 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -113.48 164.29 13.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.435 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 9.1 p -149.53 156.1 41.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.816 ' CG1' HD11 ' A' ' 110' ' ' ILE . 3.5 p -119.14 146.1 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.357 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.452 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.94 -54.67 1.37 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.07 . . . . 0.0 110.361 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.829 ' CG ' HG21 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.96 -157.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.407 ' HA ' HD13 ' A' ' 110' ' ' ILE . 2.9 t 175.65 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.519 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 92.1 p -155.33 151.73 28.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 76.33 22.7 72.68 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.971 HD22 HG11 ' A' ' 69' ' ' VAL . 2.1 mp -75.5 -152.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 0.809 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.42 159.24 35.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.54 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 17.5 t0 -55.65 96.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 96.86 37.28 4.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.885 HG21 HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -69.94 83.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 110.333 -179.889 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.54 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 5.7 t -71.13 114.95 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.829 HG21 ' CG ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -143.72 -178.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.948 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.88 146.31 33.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.777 HG12 ' O ' ' A' ' 65' ' ' THR . 0.9 OUTLIER -139.44 146.13 26.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.387 1.055 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -148.02 155.36 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.76 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 87.9 -176.54 45.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.793 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . 154.14 -137.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 0.737 . . . . 0.0 109.258 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.99 3.39 51.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.514 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 5.9 tp 46.72 67.5 0.77 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.561 0.801 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.69 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 3.1 tp-100 -83.54 -97.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 163.81 90.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.31 49.02 10.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.683 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.8 OUTLIER -127.9 152.67 47.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.467 0.745 . . . . 0.0 110.336 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.88 151.76 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.751 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -147.38 78.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 111.01 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' SER . 9.5 t0 -55.43 112.72 1.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.972 HG21 HD21 ' A' ' 67' ' ' LEU . 33.6 t -56.33 156.93 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' HA2' ' OD2' ' A' ' 51' ' ' ASP . . . -152.82 131.75 3.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.837 ' CD ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -119.29 112.92 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.524 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 12.2 m -130.57 174.31 10.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 108.353 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.945 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -133.89 88.82 2.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.686 ' HB3' HD12 ' A' ' 45' ' ' LEU . 4.2 p-90 -78.2 102.03 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.014 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.717 HG12 ' N ' ' A' ' 41' ' ' ASP . 55.0 t -93.57 -101.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.717 ' N ' HG12 ' A' ' 40' ' ' VAL . 5.0 t0 -85.4 45.48 1.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.525 HG22 ' N ' ' A' ' 43' ' ' GLY . 1.0 OUTLIER 64.76 -76.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.525 ' N ' HG22 ' A' ' 42' ' ' THR . . . -63.55 -11.14 40.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.559 HG12 ' HE1' ' A' ' 83' ' ' TRP . 3.4 t -107.32 58.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -99.19 97.72 8.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.932 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -79.13 95.8 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.596 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -83.85 140.38 32.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 108.258 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.782 ' ND2' ' CD1' ' A' ' 73' ' ' PHE . 15.4 t-20 -110.88 93.34 16.93 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.1 Cg_endo -75.02 37.12 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.507 ' HB3' ' OD1' ' A' ' 48' ' ' ASN . . . -126.37 -1.96 6.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.483 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -43.34 -53.83 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.368 179.944 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.48 -52.14 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 52' ' ' PHE . 11.9 m -30.48 147.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 p -147.62 138.67 23.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.69 HG22 ' H ' ' A' ' 56' ' ' THR . 4.3 p -134.49 179.44 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.69 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.2 m -130.36 150.86 51.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.38 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.751 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -80.83 164.2 22.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.376 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 60' ' ' ASN . 5.2 p30 -125.79 118.89 26.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.81 -89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.642 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.6 m-20 -38.31 -43.71 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.618 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 122.46 6.39 8.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.8 m -83.63 144.4 29.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -77.15 169.92 17.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 65' ' ' THR . 33.9 p -171.02 102.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.777 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.5 OUTLIER 177.69 171.08 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 80.8 p -86.71 124.61 33.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.035 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.972 HD21 HG21 ' A' ' 34' ' ' VAL . 9.4 mt -112.17 162.84 15.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.923 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.7 t -100.24 94.95 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.437 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.971 HG11 HD22 ' A' ' 13' ' ' LEU . 22.1 t -67.65 69.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.923 ' NE ' HG23 ' A' ' 68' ' ' THR . 1.5 mtm180 -68.19 139.3 56.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.54 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 31.7 ttp180 -102.33 -70.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.77 98.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.782 ' CD1' ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -135.65 173.9 11.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.434 ' HB3' ' N ' ' A' ' 85' ' ' THR . 1.9 pt-20 -129.27 72.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.489 ' CA ' ' HB1' ' A' ' 46' ' ' ALA . . . -71.03 151.72 49.29 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.621 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 13.9 p90 -99.52 134.59 42.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.601 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 31.1 mt -37.71 -61.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.601 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.47 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.932 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 47.7 m95 -50.95 -97.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 108.056 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 151.13 173.76 21.39 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 85' ' ' THR . 4.1 m -60.55 70.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.438 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.569 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.4 OUTLIER -109.21 164.98 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 90' ' ' THR . 1.3 p30 -70.91 106.75 3.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' ALA . 1.2 m -45.26 -39.42 6.47 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.46 1.1 . . . . 0.0 108.232 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 113' ' ' ASN . 0.5 OUTLIER -50.64 -29.87 12.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 87' ' ' ASP . 8.9 m -74.77 -22.12 58.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -120.76 14.69 11.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 37.05 61.38 0.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.945 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 77.8 m -54.4 -174.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.253 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.482 ' NE2' ' CD1' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -150.06 146.46 26.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.837 HG22 ' CD ' ' A' ' 36' ' ' GLN . 3.8 t -123.23 112.47 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.471 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -136.54 -175.91 14.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.443 1.09 . . . . 0.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.793 HD23 ' HB2' ' A' ' 24' ' ' ALA . 1.1 mm? -100.53 144.69 29.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 0.733 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -128.41 162.74 26.43 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 53.81 82.21 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.5 Cg_endo -74.98 116.89 4.72 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.561 1.822 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 0.3 OUTLIER 158.83 -172.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 179.928 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.471 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . 165.64 -95.31 0.12 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 95' ' ' VAL . 9.9 p -156.84 124.02 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 0.799 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.2 99.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.97 HG23 HD13 ' A' ' 13' ' ' LEU . 6.1 mm -88.24 143.62 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.371 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.799 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -120.65 87.96 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.911 -179.921 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.83 ' CE2' HG12 ' A' ' 69' ' ' VAL . 10.0 m-85 -70.55 4.7 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 111' ' ' SER . 6.4 t30 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.88 ' CB ' HD23 ' A' ' 97' ' ' LEU . . . -99.61 166.07 11.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.968 ' O ' HG13 ' A' ' 21' ' ' VAL . 79.0 p -154.25 152.37 30.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.014 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.8 t -100.93 136.56 31.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.581 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -37.17 -60.4 0.83 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.014 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.04 -161.58 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.466 1.772 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.456 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 1.1 m 166.54 24.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.997 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.591 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 11.9 t 170.89 155.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.42 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 58.49 38.28 90.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.446 1.091 . . . . 0.0 111.031 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.922 HD13 HG21 ' A' ' 17' ' ' THR . 6.8 mt -97.31 -146.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.97 154.35 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.504 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 36.5 t0 -53.73 97.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.479 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 102.05 37.49 3.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.922 HG21 HD13 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -71.61 86.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 110.393 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 11.4 t -77.63 102.65 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.672 HG21 ' CG ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -128.77 177.61 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -75.35 144.18 42.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.968 HG13 ' O ' ' A' ' 6' ' ' THR . 94.8 t -142.44 143.38 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.14 155.59 46.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.769 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 104.05 177.26 25.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.102 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 155.1 -154.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.33 -1.13 6.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.478 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 5.4 tp 49.38 65.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.683 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 7.1 tp60 -90.59 -91.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 163.49 100.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 44.2 34.58 3.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.67 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 57.6 m -107.73 161.51 14.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.424 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.25 148.19 52.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.602 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 4.6 m-85 -150.1 78.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -53.59 138.84 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.234 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.747 HG21 ' HB3' ' A' ' 53' ' ' SER . 79.1 t -64.19 163.13 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.604 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -112.12 -92.85 2.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.445 1.091 . . . . 0.0 111.036 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.82 ' NE2' HG22 ' A' ' 95' ' ' VAL . 6.5 tp60 77.34 99.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 110.358 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.534 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 62.4 m -125.3 -176.14 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -153.92 100.44 2.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.457 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 52.5 t90 -72.68 139.25 47.16 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.649 HG12 ' OD2' ' A' ' 41' ' ' ASP . 91.9 t -122.91 -104.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.649 ' OD2' HG12 ' A' ' 40' ' ' VAL . 1.1 m-20 -54.5 -169.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -78.24 -36.44 47.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.346 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.9 29.22 6.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.601 HG11 ' HZ2' ' A' ' 83' ' ' TRP . 40.5 t -130.08 125.71 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 tt -136.04 104.15 5.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.075 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.616 ' HB1' ' C ' ' A' ' 75' ' ' GLY . . . -81.97 94.72 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.534 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -83.2 160.08 21.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.348 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.736 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 2.6 t-20 -118.66 75.74 13.11 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.453 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.98 22.73 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.543 1.812 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.496 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -123.29 3.78 9.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 4.8 p-10 -37.55 -44.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.538 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER 77.73 -22.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.747 ' HB3' HG21 ' A' ' 34' ' ' VAL . 4.0 m -69.86 154.7 41.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.957 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 57.5 p -156.69 151.87 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.959 ' CG1' HD11 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -138.36 166.55 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.523 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.1 m -110.79 149.73 30.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.429 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.67 ' HB3' ' H ' ' A' ' 30' ' ' THR . . . -81.52 160.19 23.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.6 p30 -121.13 119.93 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.1 -91.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.605 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.3 t-20 -36.11 -44.35 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.603 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 122.98 8.5 6.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 3.3 m -84.22 130.96 34.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -66.17 157.22 31.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.372 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.421 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 5.2 p -156.59 108.3 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.972 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.458 ' CG2' ' HB ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER 179.02 173.4 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 49.0 m -87.79 118.75 27.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 0.0 110.063 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.803 ' HB2' HG21 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -96.91 147.8 23.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.744 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 1.1 t -91.33 86.13 6.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.969 HG11 HG21 ' A' ' 110' ' ' ILE . 19.3 t -65.63 69.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.744 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -72.82 135.71 45.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.357 179.926 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.575 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 11.1 ttm180 -85.98 -68.98 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.592 1.183 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.28 99.93 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.736 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -133.16 157.73 44.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.523 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 3.5 pm0 -97.16 80.03 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.616 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -70.55 149.05 46.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 9.5 m-85 -120.36 130.73 54.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.611 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 11.0 mp -37.94 -67.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.397 1.06 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.554 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.603 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 50.4 m95 -83.52 -52.98 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.523 ' HA2' ' CB ' ' A' ' 74' ' ' GLU . . . 84.22 140.65 4.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.777 ' O ' HG23 ' A' ' 85' ' ' THR . 1.4 t 33.28 43.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 0.75 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -82.83 137.05 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' THR . 1.5 m-20 -73.62 102.4 3.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 1.186 ' SG ' ' SG ' ' A' ' 93' ' ' CYS . 1.7 m -48.92 -38.82 23.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.436 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -63.32 -30.22 71.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 110.374 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 87' ' ' ASP . 21.0 m -73.21 -29.52 62.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.522 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -119.64 24.72 10.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.183 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 31.31 54.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 1.186 ' SG ' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -52.51 -176.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 108.303 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -144.77 163.23 34.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.82 HG22 ' NE2' ' A' ' 36' ' ' GLN . 59.4 t -129.47 107.97 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -121.39 -163.2 11.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.959 HD11 ' CG1' ' A' ' 55' ' ' VAL . 3.0 mm? -118.79 166.64 12.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.4 146.29 28.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.95 179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 1.5 p30 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.514 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 80.16 -162.84 46.57 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 164.73 32.85 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.01 -81.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.734 ' C ' HG23 ' A' ' 108' ' ' VAL . . . 154.03 -159.35 28.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.042 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.734 HG23 ' C ' ' A' ' 107' ' ' GLY . 2.9 t 86.72 74.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.26 105.05 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.969 HG21 HG11 ' A' ' 69' ' ' VAL . 3.4 mt -98.9 119.53 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.591 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -82.43 100.24 9.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.825 ' CE2' HG12 ' A' ' 69' ' ' VAL . 51.1 m-85 -80.45 12.66 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.437 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -90.61 175.79 6.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.793 ' HA ' HG21 ' A' ' 108' ' ' VAL . 45.6 p -152.14 149.74 29.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.868 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -129.29 146.31 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.486 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -43.81 -56.29 7.61 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.868 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.94 -157.05 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.557 1.82 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 110' ' ' ILE . 2.6 p -158.47 -27.03 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.54 ' O ' HD23 ' A' ' 13' ' ' LEU . 63.0 p -165.39 175.56 9.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.039 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 56.52 33.79 62.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.457 1.098 . . . . 0.0 111.057 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.004 HD11 HG21 ' A' ' 110' ' ' ILE . 4.6 mt -67.68 -142.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.303 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -161.06 157.27 25.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.979 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.45 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 33.6 t70 -51.94 91.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.669 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 90.54 44.89 4.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.731 ' O ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -64.01 77.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.563 0.802 . . . . 0.0 110.397 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 16' ' ' GLY . 8.5 t -67.86 98.13 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 17' ' ' THR . 4.0 m -131.59 177.61 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -69.38 136.54 51.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.741 ' CG2' HG13 ' A' ' 7' ' ' VAL . 38.6 t -138.81 137.68 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -138.59 162.9 33.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.785 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 87.15 -176.12 46.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.785 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 148.52 -144.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 0.795 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.63 -0.31 8.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.57 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER 49.49 51.87 15.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 0.74 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.598 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 58.2 tp60 -65.42 -99.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 168.71 88.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 41.14 47.57 4.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.411 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 1.0 OUTLIER -125.63 154.28 42.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 110.445 179.938 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.73 146.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.71 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -153.19 80.45 1.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.939 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 98' ' ' SER . 2.9 t70 -57.17 130.23 45.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.745 HG22 HD21 ' A' ' 67' ' ' LEU . 37.4 t -66.31 141.87 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.32 145.49 14.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.138 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.557 ' HG3' HG23 ' A' ' 95' ' ' VAL . 1.0 OUTLIER -131.73 119.06 20.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.467 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 4.8 m -127.11 174.26 9.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 108.318 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.732 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -150.8 166.74 29.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -90.34 150.58 21.84 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.904 HG13 ' CZ2' ' A' ' 83' ' ' TRP . 2.1 t -119.53 -143.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.694 ' O ' HG22 ' A' ' 42' ' ' THR . 0.3 OUTLIER -115.13 138.5 50.83 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.868 HG22 HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER 83.94 20.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.63 1.42 90.16 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.868 HG23 HG22 ' A' ' 42' ' ' THR . 13.1 t -65.84 148.54 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.737 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.14 127.33 48.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' CD1' ' A' ' 83' ' ' TRP . . . -108.53 112.01 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.467 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -88.57 160.02 17.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 8.4 t-20 -112.68 94.36 28.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 42.49 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.576 1.83 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -131.54 0.54 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.522 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -47.5 -57.69 5.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.463 ' O ' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.57 -56.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 -180.0 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.538 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.0 m -36.01 156.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.962 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.449 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 24.1 p -159.19 145.84 16.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.904 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.0 p -149.69 -160.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.728 ' H ' HG22 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -141.83 159.35 42.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.37 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.71 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -82.2 178.05 8.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.9 p30 -131.42 119.85 22.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.94 -88.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.658 ' N ' ' O ' ' A' ' 58' ' ' ASP . 3.5 m-80 -35.93 -45.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.613 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 124.33 5.6 7.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.483 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -87.77 139.53 30.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 110.009 -180.0 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.83 ' HB3' HD23 ' A' ' 97' ' ' LEU . . . -73.39 170.37 15.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' A' ' 65' ' ' THR . 6.1 p -169.28 102.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.041 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.904 ' HB ' HG21 ' A' ' 55' ' ' VAL . 1.3 t -178.37 173.69 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.361 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 42.8 m -84.67 105.74 15.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.039 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.745 HD21 HG22 ' A' ' 34' ' ' VAL . 6.7 mp -100.09 151.56 21.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.652 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -90.32 94.95 9.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.359 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.864 HG21 HG11 ' A' ' 7' ' ' VAL . 2.9 t -69.66 62.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.652 ' NE ' ' O ' ' A' ' 68' ' ' THR . 1.7 mtm180 -38.3 157.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.542 ' CG ' ' HB2' ' A' ' 112' ' ' PHE . 1.3 ttt180 -111.88 -64.3 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.427 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 13.3 p -119.28 158.57 25.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.431 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 2.9 p90 168.23 -168.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.682 ' HA ' ' H ' ' A' ' 85' ' ' THR . 1.2 pm0 -97.5 106.36 18.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.363 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -80.58 169.27 52.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.403 1.064 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -141.79 138.96 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 111.026 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 3.7 mm? -54.61 -63.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.904 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 69.8 t-105 -169.27 177.43 4.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 108.047 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 59.1 -76.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.682 ' H ' ' HA ' ' A' ' 74' ' ' GLU . 12.9 t 37.54 29.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 0.717 . . . . 0.0 110.389 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.775 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 179.42 -164.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.775 ' N ' HG13 ' A' ' 86' ' ' VAL . 1.8 m-20 -45.03 122.38 3.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.54 ' SG ' ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -93.58 -29.17 15.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 108.325 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.577 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 10.4 t -48.43 -33.62 9.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 0.0 110.443 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -26.23 66.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -102.56 17.99 22.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 35.53 61.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.23 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.732 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 2.7 m -64.3 172.06 2.73 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 108.25 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.467 ' HG3' ' CB ' ' A' ' 106' ' ' GLU . 7.3 pm0 -140.52 159.02 43.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.361 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.611 HG22 HD23 ' A' ' 67' ' ' LEU . 14.3 p -129.36 104.4 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -126.48 164.38 20.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.83 HD23 ' HB3' ' A' ' 63' ' ' ALA . 1.3 mm? -86.52 136.61 33.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.497 ' HB3' ' CA ' ' A' ' 104' ' ' GLY . 0.1 OUTLIER -139.55 149.78 44.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.927 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 98' ' ' SER . 9.9 t-20 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.497 ' CA ' ' HB3' ' A' ' 98' ' ' SER . . . 170.36 64.07 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -74.98 105.18 2.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.555 1.819 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.467 ' CB ' ' HG3' ' A' ' 94' ' ' GLN . 2.3 mt-10 38.14 -102.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.48 -80.45 0.34 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.793 HG21 ' HA ' ' A' ' 6' ' ' THR . 3.8 p -147.89 106.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 109.316 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.428 ' CA ' ' HB3' ' A' ' 94' ' ' GLN . . . -87.94 117.77 27.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 1.004 HG21 HD11 ' A' ' 13' ' ' LEU . 7.7 mt -126.0 157.32 36.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER -91.67 103.49 16.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.934 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.61 ' CE1' HG12 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -85.21 136.35 33.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.447 ' C ' ' NE ' ' A' ' 71' ' ' ARG . 1.6 m120 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.688 ' HB1' HD23 ' A' ' 97' ' ' LEU . . . -106.92 158.0 17.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.529 ' O ' HG13 ' A' ' 21' ' ' VAL . 6.9 p -151.63 160.52 43.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.082 HG12 ' HD2' ' A' ' 9' ' ' PRO . 6.6 t -113.14 135.4 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.612 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -36.48 -62.06 0.56 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.37 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.082 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.02 -157.99 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.26 38.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.997 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 110' ' ' ILE . 16.7 p -154.84 103.28 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.656 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -72.39 4.08 21.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.656 ' C ' ' O ' ' A' ' 12' ' ' GLY . 8.9 mt -15.65 -59.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 0.724 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -74.63 123.57 25.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.965 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.532 ' HA ' ' HG2' ' A' ' 71' ' ' ARG . 10.8 p30 -62.98 94.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 98.14 36.86 4.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.849 ' O ' HG23 ' A' ' 69' ' ' VAL . 89.8 m -58.16 83.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.425 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 16' ' ' GLY . 2.8 t -70.03 77.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.845 HG13 HG22 ' A' ' 17' ' ' THR . 14.2 m -103.14 173.08 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.186 -179.908 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -61.28 145.2 52.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.235 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.89 HG21 ' HB2' ' A' ' 67' ' ' LEU . 27.3 t -143.78 146.09 21.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.142 . . . . 0.0 109.254 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -149.23 154.56 39.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.372 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.759 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 100.97 175.58 29.22 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 157.15 -155.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.226 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.66 -0.59 8.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.555 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 3.8 tp 49.72 65.76 1.32 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 0.788 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.659 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -89.56 -90.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.29 -179.968 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 165.05 97.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 40.07 34.0 0.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.501 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -102.84 154.38 19.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.729 . . . . 0.0 110.407 179.99 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.61 146.2 10.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.385 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.885 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 3.0 m-85 -150.77 81.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 111.009 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.01 132.35 53.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 109.357 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.093 HG13 HD13 ' A' ' 67' ' ' LEU . 59.7 t -71.81 147.31 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -128.52 -171.62 13.03 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.531 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 171.67 109.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.243 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 14.9 m -119.36 170.62 8.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -134.75 176.12 8.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 44' ' ' VAL . 1.8 t90 -120.56 147.22 45.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.653 HG12 ' N ' ' A' ' 41' ' ' ASP . 95.9 t -133.65 -108.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.653 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -57.64 178.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 m -69.24 88.71 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 110.382 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.24 -14.4 36.6 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.445 1.091 . . . . 0.0 111.068 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.712 HG13 HD23 ' A' ' 77' ' ' LEU . 24.5 t -72.66 140.2 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.724 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 77' ' ' LEU . 1.6 tp -131.51 135.87 47.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.865 ' HB1' ' HA3' ' A' ' 75' ' ' GLY . . . -114.3 92.26 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.539 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -69.82 155.81 39.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 108.36 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 30.9 t-20 -112.62 87.7 10.18 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.398 1.061 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.98 35.0 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -135.59 5.96 3.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.411 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 1.9 m-20 -45.88 -46.69 15.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.69 -56.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.571 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.3 m -32.82 147.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.481 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 60.8 p -158.57 148.49 19.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.854 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.2 p -151.16 -162.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.218 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.644 ' H ' HG22 ' A' ' 55' ' ' VAL . 12.8 m -138.18 170.96 15.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.885 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -89.4 177.13 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.622 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.1 p30 -132.6 120.59 22.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.241 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.07 -90.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.622 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.3 m-20 -35.44 -46.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.607 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 125.09 7.15 6.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.7 OUTLIER -87.86 141.36 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 110.02 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -75.19 165.42 25.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.512 ' O ' ' HB ' ' A' ' 65' ' ' THR . 3.5 p -164.41 107.23 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.098 . . . . 0.0 109.966 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.854 ' HB ' HG21 ' A' ' 55' ' ' VAL . 8.9 t 179.26 -179.35 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.363 -179.926 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 4.5 m -91.0 123.76 34.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.022 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.093 HD13 HG13 ' A' ' 34' ' ' VAL . 4.2 mt -113.18 138.46 49.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.623 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 8.9 t -82.9 109.53 17.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.445 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.112 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.1 t -80.68 65.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.623 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -61.57 124.47 20.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 110.288 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.556 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -83.31 -75.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.552 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 64.8 p -84.64 120.18 26.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CD2' ' HG3' ' A' ' 70' ' ' ARG . 8.4 p90 -163.65 179.27 7.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.38 128.43 33.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.865 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -116.21 159.57 13.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 45.4 t80 -133.12 132.05 41.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.712 HD23 HG13 ' A' ' 44' ' ' VAL . 8.3 mt -40.43 -59.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.633 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.401 ' HB2' ' CD2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.703 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 7.7 m95 -63.28 -86.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 108.002 -179.936 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 102.66 141.67 11.73 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 85' ' ' THR . 0.7 OUTLIER 26.57 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 0.719 . . . . 0.0 110.432 -179.937 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.79 133.5 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.3 OUTLIER -72.78 105.83 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -68.11 -26.45 65.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 108.324 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.554 HG21 ' HB3' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -53.56 -18.29 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -79.68 -19.78 48.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.435 1.084 . . . . 0.0 110.377 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -135.55 24.08 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 32.27 90.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.656 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 1.1 p -63.22 -172.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 1.3 pm0 -142.4 146.95 35.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.75 HG12 HD12 ' A' ' 110' ' ' ILE . 12.1 p -122.62 126.29 73.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.498 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -142.57 175.34 22.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' A' ' 32' ' ' TYR . 4.6 mm? -96.08 147.81 23.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.82 152.91 50.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.521 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 63.4 58.03 12.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.3 Cg_endo -74.99 -172.71 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.443 1.76 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.62 71.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.498 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . -71.18 -84.69 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 95' ' ' VAL . 7.9 p -175.4 134.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.77 115.32 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 109.254 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 1.05 HG21 HG11 ' A' ' 69' ' ' VAL . 26.2 mt -112.61 150.26 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -81.3 84.16 6.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.112 ' CE2' HG12 ' A' ' 69' ' ' VAL . 95.6 m-85 -78.45 137.53 38.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.554 ' HB3' HG21 ' A' ' 89' ' ' THR . 2.5 t30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.516 ' CG2' ' O ' ' A' ' 106' ' ' GLU . 2.0 m . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.757 ' HB3' ' HA2' ' A' ' 96' ' ' GLY . . . -86.45 143.32 27.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.897 ' HA ' HG11 ' A' ' 108' ' ' VAL . 15.3 p -149.03 154.48 39.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.941 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -107.69 131.71 57.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.461 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.23 -54.78 1.1 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.941 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.98 163.13 35.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.806 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.632 ' HA ' HG23 ' A' ' 110' ' ' ILE . 93.6 p -125.73 2.79 7.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.483 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 99.7 p -164.0 160.84 22.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.517 ' C ' ' H ' ' A' ' 14' ' ' SER . . . 47.94 46.81 26.05 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.074 HD21 HG21 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -66.23 1.86 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.544 ' O ' ' O ' ' A' ' 13' ' ' LEU . 1.2 t 56.3 134.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 109.986 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.549 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -68.32 109.13 3.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.01 31.31 29.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.597 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -102.07 106.52 17.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.404 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.903 HG12 ' HB2' ' A' ' 66' ' ' SER . 2.1 t -79.59 102.6 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.485 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -108.83 168.93 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 120.22 11.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 6' ' ' THR . 73.7 t -124.03 138.2 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -136.34 159.89 40.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.881 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 96.05 -175.03 31.94 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.459 1.1 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.771 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 146.71 -157.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 0.807 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.87 -3.45 4.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.717 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.6 OUTLIER 48.26 65.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.64 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.9 tp60 -72.63 -104.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.411 1.069 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 167.17 55.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.28 71.93 1.29 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.464 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -160.0 160.88 33.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 0.74 . . . . 0.0 110.384 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.75 153.55 16.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.53 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -149.19 80.05 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 111.033 179.904 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -54.91 127.91 30.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.587 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 38.0 t -68.8 149.51 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -127.21 -158.43 9.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.871 ' CG ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 163.19 117.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 0.755 . . . . 0.0 110.368 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.452 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 17.8 m -125.17 -176.88 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 108.295 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB1' ' SG ' ' A' ' 88' ' ' CYS . . . -147.94 145.44 28.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.983 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 10.2 m95 -91.26 122.72 34.13 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.013 HG22 ' NE1' ' A' ' 83' ' ' TRP . 51.4 t -86.0 -114.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.58 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -91.21 40.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.506 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.8 OUTLIER 67.92 -62.94 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 -179.955 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.506 ' N ' HG22 ' A' ' 42' ' ' THR . . . -68.84 -5.63 47.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.864 ' CG1' HD21 ' A' ' 77' ' ' LEU . 45.1 t -130.04 134.73 62.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 0.806 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.576 HD21 HE22 ' A' ' 94' ' ' GLN . 0.6 OUTLIER -133.06 132.85 42.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' HB3' ' A' ' 83' ' ' TRP . . . -118.94 127.98 53.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.452 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -93.25 163.84 13.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 108.297 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.521 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 6.7 t-20 -113.04 92.83 22.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.94 40.87 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.453 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -137.59 5.85 2.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.222 -179.881 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.552 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -41.12 -50.42 3.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.55 -60.76 0.38 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.587 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.4 m -33.38 148.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 109.928 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.8 t -153.91 141.58 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.881 HG21 ' CG2' ' A' ' 65' ' ' THR . 1.2 p -143.84 -157.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.699 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.8 m -145.74 169.71 17.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.427 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.718 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -81.1 177.66 8.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.707 ' O ' ' C ' ' A' ' 59' ' ' ALA . 55.5 p30 -133.47 132.33 40.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -8.23 78.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.717 ' OD1' HD11 ' A' ' 26' ' ' LEU . 8.8 t30 150.75 -37.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.718 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 120.27 -7.9 11.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.966 179.901 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -75.77 133.23 40.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 0.734 . . . . 0.0 109.948 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -79.24 160.0 27.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 65' ' ' THR . 89.7 p -165.55 114.75 1.02 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 109.929 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.881 ' CG2' HG21 ' A' ' 55' ' ' VAL . 10.1 t 179.85 -141.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.437 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.903 ' HB2' HG12 ' A' ' 18' ' ' VAL . 9.5 p -129.85 120.17 24.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.792 HD22 HG11 ' A' ' 21' ' ' VAL . 4.9 mp -115.94 138.11 51.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.796 ' HB ' HG22 ' A' ' 18' ' ' VAL . 3.8 t -80.85 101.55 9.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.051 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.3 t -68.96 60.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.724 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.2 OUTLIER -43.35 129.95 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.572 ' O ' ' CE2' ' A' ' 73' ' ' PHE . 7.5 tmm_? -99.79 -70.56 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.258 -179.93 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.769 ' HB2' HG22 ' A' ' 86' ' ' VAL . 90.8 p -89.72 131.38 35.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE2' ' O ' ' A' ' 71' ' ' ARG . 20.8 p90 -172.13 -169.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.466 ' HA ' ' HA3' ' A' ' 84' ' ' GLY . 3.2 pt-20 -127.39 74.16 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.676 ' H ' ' HA3' ' A' ' 84' ' ' GLY . . . -62.33 -162.48 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -159.39 151.25 20.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 0.73 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.864 HD21 ' CG1' ' A' ' 44' ' ' VAL . 6.2 mt -67.69 -43.62 79.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.237 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.621 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 3.6 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 1.013 ' NE1' HG22 ' A' ' 40' ' ' VAL . 20.7 t-105 -173.64 -177.27 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 107.959 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.676 ' HA3' ' H ' ' A' ' 75' ' ' GLY . . . 111.97 -57.14 0.44 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.749 ' O ' HG23 ' A' ' 85' ' ' THR . 13.5 t 30.88 68.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 0.809 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.871 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER 48.29 -149.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.871 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -24.06 121.72 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.578 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -109.31 -15.94 14.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 108.227 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 12.3 t -45.99 -23.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -75.55 -23.78 56.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.426 179.953 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.983 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -101.22 -13.02 18.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 80.04 90.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -82.0 161.59 22.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 108.299 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.576 HE22 HD21 ' A' ' 45' ' ' LEU . 14.5 pm0 -140.58 143.23 35.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.871 HG22 ' CG ' ' A' ' 36' ' ' GLN . 2.6 t -114.23 118.08 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.757 ' HA2' ' HB3' ' A' ' 5' ' ' ALA . . . -129.27 175.95 18.68 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.547 1.154 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.485 ' HA ' HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -102.11 156.21 17.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.344 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -133.06 150.24 52.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.73 160.61 37.2 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.613 1.195 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.415 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.95 -93.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.537 1.809 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.516 ' O ' ' CG2' ' A' ' 4' ' ' THR . 2.3 mt-10 60.0 44.5 13.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.533 ' CA ' ' CA ' ' A' ' 96' ' ' GLY . . . -68.38 -103.33 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.897 HG11 ' HA ' ' A' ' 6' ' ' THR . 3.7 p -163.29 111.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.67 97.65 1.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 1.074 HG21 HD21 ' A' ' 13' ' ' LEU . 24.5 mt -110.62 169.47 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.524 ' N ' HG22 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -87.56 113.78 23.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.006 179.949 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.051 ' CE2' HG12 ' A' ' 69' ' ' VAL . 4.4 m-85 -94.6 125.81 39.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.975 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.594 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . -79.03 141.69 37.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.98 ' O ' HG13 ' A' ' 21' ' ' VAL . 7.4 p -144.8 154.73 42.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 110.407 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.819 ' HB ' HD11 ' A' ' 110' ' ' ILE . 53.5 t -110.09 123.77 66.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.721 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -35.29 -67.94 0.2 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 0.0 110.324 -179.972 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.721 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.0 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.438 1.757 . . . . 0.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 p -162.49 32.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 111' ' ' SER . 26.5 p -137.97 77.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.918 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.651 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -66.91 -0.98 9.88 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 179.938 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.784 HD23 ' O ' ' A' ' 111' ' ' SER . 1.6 mt -17.81 -56.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -66.6 115.72 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.542 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 39.7 t0 -55.16 96.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.681 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 101.17 37.72 3.51 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.689 ' O ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -60.19 80.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.79 . . . . 0.0 110.384 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 16' ' ' GLY . 7.0 t -68.72 92.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.715 HG21 ' HG2' ' A' ' 9' ' ' PRO . 1.8 m -115.43 172.93 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -73.41 139.16 45.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.98 HG13 ' O ' ' A' ' 6' ' ' THR . 91.7 t -135.33 139.78 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -139.17 155.45 47.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.776 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 103.72 -175.45 23.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 146.49 -159.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.54 -3.92 3.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.615 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.4 OUTLIER 46.81 68.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.336 -179.942 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.726 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 12.8 mm-40 -80.6 -100.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 158.92 57.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.416 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . 98.57 67.55 0.89 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 31' ' ' ALA . 23.0 m -153.14 167.94 27.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.413 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.458 ' N ' HG22 ' A' ' 30' ' ' THR . . . -78.38 152.91 32.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.569 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 15.8 m-85 -147.91 77.93 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.2 130.4 38.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.517 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 10.9 t -66.74 152.82 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.41 ' HA2' ' OD1' ' A' ' 51' ' ' ASP . . . -142.53 168.36 25.88 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 1.041 ' CG ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -164.88 120.5 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.307 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.664 ' HB3' HD21 ' A' ' 45' ' ' LEU . 11.4 m -131.96 178.86 6.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.882 ' HB2' ' SG ' ' A' ' 88' ' ' CYS . . . -145.35 113.91 6.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.885 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -88.85 134.18 34.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.586 1.179 . . . . 0.0 107.99 -179.972 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.651 HG22 ' HB1' ' A' ' 91' ' ' ALA . 43.7 t -115.82 -115.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.552 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.3 m-20 -75.26 57.07 0.85 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.468 HG22 ' N ' ' A' ' 43' ' ' GLY . 1.2 m 58.99 -77.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -77.99 33.82 1.7 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.451 ' H ' ' C ' ' A' ' 42' ' ' THR . 62.2 t -147.22 64.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.885 HD12 ' HB2' ' A' ' 39' ' ' TRP . 5.3 tt -111.8 107.2 16.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -88.64 122.98 32.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.528 ' HB2' ' CG ' ' A' ' 78' ' ' PHE . 1.1 m -90.69 156.18 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.765 ' ND2' ' CD1' ' A' ' 73' ' ' PHE . 14.0 t-20 -115.55 86.71 15.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.661 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.95 37.54 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.481 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -124.76 -2.27 7.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.5 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -40.43 -51.82 2.81 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.17 -53.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.107 . . . . 0.0 111.037 -179.945 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.517 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.1 m -35.99 153.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 t -154.13 144.46 22.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.61 ' CG1' HD11 ' A' ' 97' ' ' LEU . 1.8 p -142.85 167.14 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.511 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.1 m -121.43 153.63 37.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.708 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -59.85 173.87 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.706 ' O ' ' C ' ' A' ' 59' ' ' ALA . 46.7 p30 -135.17 128.48 32.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.706 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -3.57 74.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.692 ' N ' ' O ' ' A' ' 58' ' ' ASP . 12.2 t30 156.42 -39.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.708 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 122.77 -8.18 9.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.3 t -78.68 131.47 36.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 0.803 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.9 156.73 28.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.221 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.3 p -152.41 115.71 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.613 HG22 ' CD1' ' A' ' 67' ' ' LEU . 0.5 OUTLIER 177.91 167.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 22.5 p -86.95 121.47 29.46 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.4 1.062 . . . . 0.0 110.019 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.765 ' HB2' HG21 ' A' ' 21' ' ' VAL . 8.0 mp -105.39 146.53 29.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.863 HG23 ' HE ' ' A' ' 70' ' ' ARG . 9.1 t -86.24 95.82 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.921 HG12 ' CE2' ' A' ' 112' ' ' PHE . 19.2 t -71.53 64.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.863 ' HE ' HG23 ' A' ' 68' ' ' THR . 4.1 mtm180 -48.4 142.97 5.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.554 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -88.83 -58.02 2.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.504 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 88.1 p -126.92 157.42 39.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.765 ' CD1' ' ND2' ' A' ' 48' ' ' ASN . 31.8 p90 176.66 -165.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.548 ' HG3' ' CE1' ' A' ' 76' ' ' PHE . 4.9 pm0 -83.95 110.69 18.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.11 121.01 5.89 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.597 1.186 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.661 ' CD1' ' HD2' ' A' ' 49' ' ' PRO . 22.8 m-85 -97.73 121.06 39.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.795 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.579 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.3 mt -25.29 -78.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.528 ' CG ' ' HB2' ' A' ' 47' ' ' CYS . 11.9 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.184 . . . . 0.0 111.027 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.622 ' CD2' HG11 ' A' ' 86' ' ' VAL . 18.2 m95 -114.72 -82.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 108.011 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 74' ' ' GLU . . . 87.26 -33.98 3.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER -163.93 84.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 110.385 -179.952 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.622 HG11 ' CD2' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -152.4 178.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.504 ' HA ' ' CB ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -83.77 144.07 29.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.882 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -96.78 -24.48 15.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 108.283 -179.936 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.469 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 13.9 t -63.03 -26.37 68.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.098 . . . . 0.0 110.34 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.09 -19.92 50.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.651 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -112.3 25.56 11.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 37.04 64.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.727 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -50.49 178.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.318 -179.94 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 17.1 pm0 -159.6 147.07 16.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 110.24 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.041 HG22 ' CG ' ' A' ' 36' ' ' GLN . 22.1 t -118.44 121.36 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.23 -171.12 12.47 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.61 HD11 ' CG1' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -105.48 150.88 24.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 0.747 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -131.28 110.32 11.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.682 ' N ' HD21 ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 130.62 -165.63 22.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.95 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.506 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.4 Cg_endo -74.94 107.74 2.55 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.797 . . . . 0.0 111.044 179.92 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.6 OUTLIER 179.38 36.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -79.86 172.46 54.85 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 108' ' ' VAL . 1.4 p -97.17 110.58 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.381 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -59.0 116.84 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.819 HD11 ' HB ' ' A' ' 7' ' ' VAL . 32.5 mt -118.51 151.27 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.373 179.921 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.784 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -84.08 93.33 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.943 -179.92 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.921 ' CE2' HG12 ' A' ' 69' ' ' VAL . 71.3 m-85 -85.75 14.99 5.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.506 ' C ' HD22 ' A' ' 13' ' ' LEU . 10.9 t30 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.502 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 3.1 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.81 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -71.62 127.35 32.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.475 HG23 ' C ' ' A' ' 5' ' ' ALA . 66.9 p -154.43 153.4 31.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.902 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.042 HG13 ' CG2' ' A' ' 21' ' ' VAL . 3.0 t -112.49 135.05 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 7' ' ' VAL . 0.8 OUTLIER -32.59 -53.23 0.6 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 -179.961 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.984 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.05 -149.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.542 1.812 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.4 ' H ' ' HB2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER 175.61 -23.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.559 ' O ' HD23 ' A' ' 13' ' ' LEU . 88.5 p -172.05 165.81 6.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.935 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.94 35.94 92.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.618 HD21 ' HB2' ' A' ' 9' ' ' PRO . 3.9 mt -92.88 -148.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -156.18 152.03 27.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.542 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 31.3 t0 -53.77 108.47 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' VAL . . . 89.03 36.01 7.9 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -71.54 82.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 110.404 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.5 t -65.15 90.81 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.658 HG21 ' CG ' ' A' ' 9' ' ' PRO . 1.4 m -112.43 -171.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 65' ' ' THR . 16.7 mttt -100.71 117.38 34.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.042 ' CG2' HG13 ' A' ' 7' ' ' VAL . 4.1 t -103.57 145.64 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.368 179.913 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.82 159.69 41.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.781 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 84.03 -166.22 42.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.81 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . . . 142.6 -129.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.19 3.03 67.74 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.559 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.6 OUTLIER 41.55 67.36 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 0.788 . . . . 0.0 109.323 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.66 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 9.1 mm-40 -87.0 -100.19 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 165.36 83.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.51 28.34 73.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.8 m -103.64 154.7 19.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.396 0.704 . . . . 0.0 110.395 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 99' ' ' ASP . . . -63.21 159.38 17.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.836 ' O ' HG12 ' A' ' 55' ' ' VAL . 13.0 m-85 -156.64 75.76 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 111.07 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -53.37 142.2 22.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.734 HG21 ' HB3' ' A' ' 53' ' ' SER . 4.0 t -67.35 148.62 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -116.97 -89.2 1.42 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.556 1.16 . . . . 0.0 111.065 179.891 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.957 ' NE2' HG22 ' A' ' 95' ' ' VAL . 1.5 tp60 70.45 104.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.528 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 20.7 m -130.94 177.14 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.269 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.586 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -144.69 123.14 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.619 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -73.6 129.45 37.98 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.751 HG11 ' CE2' ' A' ' 83' ' ' TRP . 81.8 t -112.57 -104.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.511 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.8 t0 -59.35 -165.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -70.95 -48.96 50.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.14 32.2 5.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.647 ' CG1' HD13 ' A' ' 77' ' ' LEU . 23.9 t -127.28 133.23 68.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.595 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -138.51 106.84 5.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.839 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -73.3 101.54 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.621 ' C ' ' HD3' ' A' ' 49' ' ' PRO . 0.5 OUTLIER -80.54 163.47 23.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 108.266 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.661 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 31.5 t-20 -115.63 70.87 3.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.621 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.98 8.45 2.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.552 1.817 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.667 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . . . -99.81 -5.22 28.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.53 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 3.0 p-10 -54.24 -51.61 63.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.667 ' CE1' ' HA ' ' A' ' 50' ' ' ALA . 12.2 m-85 69.14 -8.49 0.69 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.734 ' HB3' HG21 ' A' ' 34' ' ' VAL . 3.8 m -65.17 158.43 26.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 78.7 p -149.74 153.26 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.03 HG11 HD22 ' A' ' 97' ' ' LEU . 13.0 p -145.46 170.78 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.512 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -131.81 149.93 52.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.465 179.95 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.623 ' HB2' ' HE2' ' A' ' 32' ' ' TYR . . . -66.51 176.28 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.695 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.9 p-10 -135.44 134.88 40.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.695 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.4 79.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.675 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.9 t30 150.95 -34.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.613 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 115.88 -3.3 21.14 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -82.81 127.51 33.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.035 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -62.79 165.34 6.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 65' ' ' THR . 85.8 p -169.94 107.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.706 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.7 OUTLIER 178.98 -165.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.438 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.696 ' N ' HG23 ' A' ' 65' ' ' THR . 93.2 p -101.77 134.91 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.065 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.729 HD11 HD23 ' A' ' 97' ' ' LEU . 2.4 mp -125.0 137.33 54.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.604 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -80.35 89.36 5.55 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.476 1.11 . . . . 0.0 110.487 179.92 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.603 HG13 ' HE2' ' A' ' 112' ' ' PHE . 89.5 t -62.74 69.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.604 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -73.41 122.14 21.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.563 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 0.4 OUTLIER -84.93 -79.31 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -76.8 100.63 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.661 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 3.0 p90 -144.04 147.77 34.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 74' ' ' GLU . 1.8 pt-20 -75.4 104.9 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.716 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -89.48 161.21 29.74 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.502 ' O ' ' C ' ' A' ' 77' ' ' LEU . 5.8 m-85 -106.72 129.2 54.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 0.759 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.647 HD13 ' CG1' ' A' ' 44' ' ' VAL . 1.6 mm? -33.06 -68.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.595 ' CZ ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' TRP . 17.2 ttp180 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.839 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -40.79 -84.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 108.025 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.538 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 137.06 114.17 1.29 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.775 ' O ' HG23 ' A' ' 85' ' ' THR . 12.4 t 27.07 77.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 0.804 . . . . 0.0 110.363 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -91.71 119.18 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.441 ' HB3' ' CB ' ' A' ' 90' ' ' THR . 8.8 m-20 -71.56 105.19 3.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.622 ' HB3' ' CE1' ' A' ' 112' ' ' PHE . 2.4 m -53.19 -57.69 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.31 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.523 HG21 ' CZ ' ' A' ' 71' ' ' ARG . 8.9 t -50.45 -28.48 8.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.441 ' CB ' ' HB3' ' A' ' 87' ' ' ASP . 52.5 m -79.78 -23.48 42.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.619 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -126.26 29.21 5.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.566 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 26.27 52.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.612 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -51.33 -179.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 108.282 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.525 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 6.2 pm0 -135.93 152.53 51.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.957 HG22 ' NE2' ' A' ' 36' ' ' GLN . 2.3 t -126.09 113.28 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.55 155.19 26.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.03 HD22 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -106.71 139.06 41.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 0.793 . . . . 0.0 109.343 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 33' ' ' ASP . 1.0 OUTLIER -141.53 158.9 43.25 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.576 1.172 . . . . 0.0 110.004 -179.905 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 t30 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.466 ' O ' ' OG ' ' A' ' 98' ' ' SER . . . -156.17 -91.91 0.09 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.536 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -74.88 -161.14 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.6 tp10 89.14 26.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 106' ' ' GLU . . . -57.9 -153.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.697 ' CG1' HG23 ' A' ' 7' ' ' VAL . 2.2 p -132.47 125.5 53.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.59 0.818 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.04 105.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.846 HD11 HG21 ' A' ' 7' ' ' VAL . 10.1 mt -99.17 136.81 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.22 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.484 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -92.82 83.85 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.173 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.695 ' CD2' HG22 ' A' ' 110' ' ' ILE . 0.9 OUTLIER -76.08 121.02 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 -179.97 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 -179.979 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.568 ' HA ' HD12 ' A' ' 97' ' ' LEU . 1.1 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.508 ' O ' HG21 ' A' ' 108' ' ' VAL . . . -102.52 167.12 10.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.985 ' O ' HG13 ' A' ' 21' ' ' VAL . 6.4 p -152.59 157.3 40.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.039 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.6 t -95.06 122.23 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.581 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -29.01 -60.76 0.23 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.039 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.93 -84.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.708 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.0 t 85.69 29.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.633 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 23.4 p 172.67 151.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.39 44.08 97.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.881 ' CB ' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -111.32 -152.33 0.5 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.6 t -152.98 163.06 40.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.064 179.928 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.525 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 2.6 p-10 -58.6 112.33 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.42 34.42 14.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.881 HG21 ' CB ' ' A' ' 13' ' ' LEU . 3.4 t -83.88 93.29 7.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 110.404 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.695 HG22 ' HB ' ' A' ' 68' ' ' THR . 3.4 t -78.6 91.51 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.691 HG21 ' CG ' ' A' ' 9' ' ' PRO . 5.7 m -108.45 170.95 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -65.93 140.91 58.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.985 HG13 ' O ' ' A' ' 6' ' ' THR . 92.5 t -141.8 141.6 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.6 158.62 43.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.892 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 105.59 174.03 23.94 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.753 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.21 -162.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 0.801 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.53 -4.33 3.85 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.576 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER 50.59 62.11 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 0.742 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.638 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -90.14 -88.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 166.69 87.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.546 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 62.37 10.76 30.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 55.2 m -73.83 164.07 27.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 0.786 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.34 146.53 34.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.802 ' CD1' HD23 ' A' ' 97' ' ' LEU . 2.7 m-85 -145.11 77.96 1.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.67 129.33 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.588 HG22 HD21 ' A' ' 67' ' ' LEU . 28.3 t -69.66 138.74 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' OD1' ' A' ' 51' ' ' ASP . . . -112.31 -176.59 19.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.537 ' CB ' ' NH1' ' A' ' 70' ' ' ARG . 2.0 tp60 176.49 103.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.676 ' HB3' HD21 ' A' ' 45' ' ' LEU . 34.6 m -132.47 -179.1 5.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.276 -179.94 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.463 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -141.73 85.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.608 ' HB2' HD12 ' A' ' 45' ' ' LEU . 68.2 t90 -73.27 121.48 20.43 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.926 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.685 HG21 ' HB1' ' A' ' 91' ' ' ALA . 35.5 t -117.56 -117.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.537 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -57.91 175.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.5 m -66.1 90.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.41 -9.46 41.86 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.011 HG13 HD21 ' A' ' 77' ' ' LEU . 21.9 t -90.46 66.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.696 ' C ' HD23 ' A' ' 45' ' ' LEU . 4.4 tt -108.28 122.48 47.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.937 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -100.26 100.68 11.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.676 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -80.7 152.34 28.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 108.293 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 14.1 t30 -113.48 89.83 16.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.382 179.906 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.569 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 18.1 Cg_endo -75.1 44.03 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.42 3.04 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 53' ' ' SER . 4.0 p30 -45.65 -62.38 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.11 -47.6 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.985 179.94 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.554 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.1 m -38.61 155.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.934 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 p -146.32 140.36 26.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.655 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 2.7 p -127.3 153.23 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 2.5 m -112.02 151.9 28.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.388 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -80.21 173.66 12.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.634 ' O ' ' N ' ' A' ' 60' ' ' ASN . 9.4 p30 -132.78 120.72 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.23 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.534 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.75 -89.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.634 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.6 m-20 -36.7 -46.94 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.576 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 130.11 -2.48 5.89 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.5 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 28.9 t -76.07 137.73 40.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 0.812 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.892 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -74.45 157.95 34.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.3 p -160.15 105.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.429 HG23 HD12 ' A' ' 67' ' ' LEU . 1.6 t -176.62 173.69 1.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.563 ' HB3' HG12 ' A' ' 18' ' ' VAL . 19.9 m -88.52 122.54 32.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.802 ' HB2' HG21 ' A' ' 21' ' ' VAL . 11.0 mp -112.34 142.95 44.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.235 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.869 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.4 t -88.96 106.11 18.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.132 HG12 ' CE2' ' A' ' 112' ' ' PHE . 1.3 t -76.63 60.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.869 ' NE ' HG23 ' A' ' 68' ' ' THR . 2.3 mtm180 -42.55 132.51 3.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.539 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 7.1 tmm_? -100.09 -75.86 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.443 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -83.32 122.86 29.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 88' ' ' CYS . 8.6 p90 -169.76 -168.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 2.7 pm0 -108.7 123.83 49.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' GLY . . . -125.54 149.96 17.29 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.676 ' CZ ' ' CB ' ' A' ' 47' ' ' CYS . 35.9 p90 -107.31 131.83 53.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.011 HD21 HG13 ' A' ' 44' ' ' VAL . 1.2 mt -52.05 -41.16 62.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.733 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.937 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -168.66 -41.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 108.003 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -92.81 64.37 2.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.829 ' O ' HG23 ' A' ' 85' ' ' THR . 1.3 t -103.3 51.09 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 0.787 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.804 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -178.24 -156.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.248 179.938 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.804 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -54.42 101.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 20.9 p -57.09 -27.89 62.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 108.389 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.0 t -51.35 -21.45 2.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.374 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -83.11 -17.37 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 179.958 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.685 ' HB1' HG21 ' A' ' 40' ' ' VAL . . . -121.69 28.67 7.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.507 ' O ' ' O ' ' A' ' 91' ' ' ALA . . . 44.49 100.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.67 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -93.2 162.8 13.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 8.4 pt20 -152.61 150.17 29.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.518 ' H ' HD12 ' A' ' 110' ' ' ILE . 66.1 t -128.1 111.28 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -127.91 172.03 19.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.923 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -79.81 137.34 36.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.35 -179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.638 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -129.04 128.8 44.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.906 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.222 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.0 t30 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 76.05 -146.91 34.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.77 17.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.591 1.837 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.429 ' HG2' ' N ' ' A' ' 97' ' ' LEU . 17.1 tp10 -117.89 -71.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.479 ' O ' ' HB ' ' A' ' 108' ' ' VAL . . . 138.74 -148.45 19.97 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 5' ' ' ALA . 17.6 t 77.7 70.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.34 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.48 107.87 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 1.061 HG21 HG11 ' A' ' 69' ' ' VAL . 3.8 mt -108.04 148.84 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.802 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -97.48 102.19 13.89 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.132 ' CE2' HG12 ' A' ' 69' ' ' VAL . 3.4 m-85 -91.79 130.87 37.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.18 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.973 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.834 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . -105.37 173.25 6.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.936 ' HA ' HG21 ' A' ' 108' ' ' VAL . 19.9 p -153.0 156.4 38.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.439 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.976 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.6 t -93.25 135.04 29.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.53 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.54 -58.35 1.03 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.976 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.0 -168.46 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.455 ' C ' HG23 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -154.11 19.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.05 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.559 ' O ' HD12 ' A' ' 13' ' ' LEU . 51.9 p -177.57 64.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 110.041 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.995 ' HA3' HG21 ' A' ' 17' ' ' THR . . . -49.8 -28.49 11.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.626 HD23 ' C ' ' A' ' 113' ' ' ASN . 0.6 OUTLIER 46.63 20.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 0.8 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.488 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -139.92 114.64 9.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 10.0 p-10 -60.55 95.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.549 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 108.49 31.22 3.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.436 1.085 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.995 HG21 ' HA3' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -74.86 98.11 3.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 0.743 . . . . 0.0 110.457 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 7.4 t -83.25 113.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.945 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.816 HG21 ' CG ' ' A' ' 9' ' ' PRO . 3.7 m -136.36 174.24 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 153.16 44.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.864 HG13 ' O ' ' A' ' 6' ' ' THR . 22.8 t -150.08 146.53 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -145.21 158.31 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.855 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 96.98 -176.3 31.79 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 150.24 -156.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.52 -0.64 8.53 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.737 HD11 ' OD1' ' A' ' 60' ' ' ASN . 2.7 tp 46.36 72.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.698 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 10.4 tp60 -82.02 -98.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 162.25 51.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.79 72.74 1.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.467 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 3.7 t -156.43 163.42 39.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 110.349 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.26 153.94 39.61 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.737 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 5.1 m-85 -148.73 78.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 1.0 OUTLIER -58.1 119.81 7.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.08 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.672 HG21 HD22 ' A' ' 67' ' ' LEU . 34.6 t -56.59 160.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.429 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -148.88 156.38 26.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.932 ' CG ' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -149.06 120.66 8.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.489 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 9.5 m -130.0 172.9 11.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 108.273 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.586 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.09 154.85 47.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.636 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -79.52 137.61 37.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.051 179.933 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.685 ' HB ' HG12 ' A' ' 44' ' ' VAL . 85.4 t -109.49 -105.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.526 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -166.01 129.1 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 42' ' ' THR . . . . . 1.037 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.1 m 66.56 91.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 42' ' ' THR . . . 30.92 43.54 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.037 HG23 ' O ' ' A' ' 42' ' ' THR . 55.6 t -127.17 133.15 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 39' ' ' TRP . 3.9 tp -134.27 126.86 30.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.656 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -86.27 93.29 9.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.489 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.0 OUTLIER -79.79 147.86 31.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 -179.967 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.725 ' CG ' ' CD2' ' A' ' 73' ' ' PHE . 20.9 t-20 -113.39 95.14 34.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HD3' ' CD2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -75.04 34.84 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.445 1.761 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.684 ' HB3' ' OD1' ' A' ' 48' ' ' ASN . . . -124.54 0.08 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.7 OUTLIER -39.59 -42.26 1.15 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.96 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 21.4 m-85 62.78 -59.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 111.057 -179.923 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.3 m -31.7 146.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 66.2 p -158.33 139.02 12.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.817 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.3 p -139.68 -157.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.226 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.706 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -147.49 160.84 42.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.945 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.737 ' HB2' ' HE2' ' A' ' 32' ' ' TYR . . . -69.45 -179.64 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.708 ' O ' ' N ' ' A' ' 60' ' ' ASN . 53.1 p30 -137.24 132.89 34.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.189 . . . . 0.0 109.237 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.696 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -8.76 77.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.938 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.737 ' OD1' HD11 ' A' ' 26' ' ' LEU . 10.0 t30 151.99 -35.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.356 -179.955 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.643 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 118.07 -8.06 14.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.501 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -77.2 137.59 38.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 0.0 110.045 179.92 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.855 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -83.13 159.2 22.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.485 ' O ' ' HB ' ' A' ' 65' ' ' THR . 90.5 p -160.2 107.97 1.65 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.949 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.817 ' HB ' HG21 ' A' ' 55' ' ' VAL . 6.9 t -179.8 167.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.374 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.498 ' C ' HD23 ' A' ' 67' ' ' LEU . 66.8 p -90.81 116.14 28.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.058 179.922 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.769 HD21 HG23 ' A' ' 65' ' ' THR . 5.9 mt -101.1 159.82 14.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.852 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.9 t -101.11 92.34 4.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.435 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.039 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.0 t -68.96 67.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.852 ' NE ' HG23 ' A' ' 68' ' ' THR . 1.0 OUTLIER -65.52 141.72 58.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.762 ' HD3' HG22 ' A' ' 89' ' ' THR . 9.3 tmm_? -92.26 -68.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.401 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 22.8 t -63.69 103.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.96 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.725 ' CD2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -139.02 161.46 37.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.959 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.503 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -104.96 76.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.609 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -74.57 147.56 37.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 22.5 p90 -116.07 130.01 56.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 0.762 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.846 HD23 HG11 ' A' ' 44' ' ' VAL . 4.3 mp -40.08 -66.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.616 1.198 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 16.7 ttm105 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.679 ' CE3' HG21 ' A' ' 86' ' ' VAL . 37.4 m95 -48.33 -87.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.524 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 99.87 132.48 7.74 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.73 ' O ' HG23 ' A' ' 85' ' ' THR . 3.1 t 28.74 44.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 0.755 . . . . 0.0 110.42 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.679 HG21 ' CE3' ' A' ' 83' ' ' TRP . 8.9 p -89.78 140.41 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.459 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -73.47 101.87 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.765 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -52.49 -24.94 8.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 108.291 -179.969 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.762 HG22 ' HD3' ' A' ' 71' ' ' ARG . 1.8 t -69.89 -20.4 63.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -84.9 -27.03 26.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -119.94 18.63 12.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 34.64 61.95 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 1.9 p -52.08 -176.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.528 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 4.0 pm0 -143.95 159.72 42.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.243 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.952 HG21 HG13 ' A' ' 69' ' ' VAL . 2.5 t -130.0 119.2 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -136.62 175.22 21.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.917 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.691 HD23 ' CB ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -86.55 156.24 20.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 0.732 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.48 ' OG ' ' CB ' ' A' ' 103' ' ' ASN . 0.4 OUTLIER -138.92 123.01 17.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 179.992 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.714 HD21 ' N ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 131.96 -158.87 23.07 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.06 111.28 3.29 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.5 OUTLIER 173.31 40.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 179.973 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.411 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -86.3 172.33 45.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.936 HG21 ' HA ' ' A' ' 6' ' ' THR . 21.8 t -97.34 110.5 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 0.725 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.77 107.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.524 HG13 HG12 ' A' ' 108' ' ' VAL . 7.1 mt -113.88 155.08 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.517 ' O ' ' HA ' ' A' ' 11' ' ' SER . 1.8 m -92.54 100.9 13.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.039 ' CE2' HG12 ' A' ' 69' ' ' VAL . 4.8 m-85 -88.27 18.26 4.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.626 ' C ' HD23 ' A' ' 13' ' ' LEU . 54.2 t30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.631 HG22 ' CD ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.547 0.213 . . . . 0.0 110.428 . . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.63 174.06 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.954 ' O ' HG13 ' A' ' 21' ' ' VAL . 69.9 p -149.37 152.13 35.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 110.358 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 21' ' ' VAL . 4.8 t -111.58 110.01 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.678 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -24.02 -65.84 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.989 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.893 ' HB2' HD21 ' A' ' 13' ' ' LEU . 18.1 Cg_endo -75.0 -89.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.549 1.815 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.599 ' HA ' HG23 ' A' ' 110' ' ' ILE . 4.4 t 85.86 21.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 110.085 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.482 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 51.4 p -173.2 147.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 110.011 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.03 35.38 87.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.438 1.086 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.893 HD21 ' HB2' ' A' ' 9' ' ' PRO . 29.2 mt -92.59 -142.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 0.794 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.48 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.3 OUTLIER -159.54 170.47 21.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.014 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.508 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 12.3 t70 -60.68 107.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.47 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 78.27 37.35 28.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.928 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.929 HG22 HG13 ' A' ' 19' ' ' VAL . 8.2 m -76.88 90.52 3.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.57 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.4 t -66.71 84.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.407 1.067 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.929 HG13 HG22 ' A' ' 17' ' ' THR . 1.3 m -94.4 166.33 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 65' ' ' THR . 7.6 mtpt -67.6 141.11 56.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.954 HG13 ' O ' ' A' ' 6' ' ' THR . 98.2 t -139.6 139.83 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -137.9 157.15 47.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.83 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 90.0 -166.66 32.58 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.564 1.165 . . . . 0.0 111.089 -179.932 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 141.97 -142.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 0.726 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.49 0.31 26.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.548 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.7 OUTLIER 42.82 65.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.697 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 18.7 tp60 -75.4 -99.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 162.11 54.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.99 71.95 1.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -157.93 163.02 38.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 110.364 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.26 152.71 36.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.892 ' HB3' HD23 ' A' ' 97' ' ' LEU . 2.1 m-85 -148.37 78.93 1.44 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.545 1.153 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -55.12 128.74 35.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.843 ' CG1' HD22 ' A' ' 67' ' ' LEU . 21.2 t -70.46 149.31 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -129.69 146.75 17.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.103 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 2.9 tp60 -134.6 112.6 10.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.77 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.572 ' C ' ' CE1' ' A' ' 73' ' ' PHE . 28.3 m -129.56 -175.36 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 108.315 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.963 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . . . -153.03 124.49 7.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.84 ' HB2' HD12 ' A' ' 45' ' ' LEU . 10.7 t90 -101.42 108.91 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.958 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.601 HG22 ' CB ' ' A' ' 91' ' ' ALA . 46.3 t -88.93 -115.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.574 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -56.31 -160.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.1 m -68.27 -51.18 47.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.34 39.95 2.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.6 HG13 HD21 ' A' ' 77' ' ' LEU . 46.9 t -126.79 52.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.737 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.84 HD12 ' HB2' ' A' ' 39' ' ' TRP . 1.3 tt -101.25 113.16 25.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.464 ' HB1' ' C ' ' A' ' 76' ' ' PHE . . . -102.5 157.32 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.482 ' O ' ' CA ' ' A' ' 75' ' ' GLY . 0.8 OUTLIER -118.12 152.06 36.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 108.259 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 15.0 t-20 -109.8 97.12 27.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.94 39.85 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.461 1.769 . . . . 0.0 111.064 179.943 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.575 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -133.71 5.0 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.57 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -40.35 -45.9 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 23.0 m-85 62.77 -59.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.055 -179.938 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.57 ' N ' ' O ' ' A' ' 51' ' ' ASP . 1.7 m -32.98 148.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.416 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 54.8 p -159.09 142.86 15.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.918 HG21 ' CG2' ' A' ' 65' ' ' THR . 1.2 p -142.18 -158.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.702 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.5 m -144.66 166.81 24.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.609 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -80.07 -177.77 6.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.689 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.8 p30 -137.51 135.63 36.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.689 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -11.76 80.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.689 ' N ' ' O ' ' A' ' 58' ' ' ASP . 8.3 t30 149.55 -34.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.523 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 115.67 -6.37 20.44 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -78.25 131.0 36.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.921 -179.902 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.83 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -76.6 163.23 27.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.527 ' O ' ' HB ' ' A' ' 65' ' ' THR . 18.0 p -164.44 114.72 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.918 ' CG2' HG21 ' A' ' 55' ' ' VAL . 5.0 t 178.03 -132.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.533 ' N ' ' OG1' ' A' ' 65' ' ' THR . 2.6 m -146.22 136.84 24.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.843 HD22 ' CG1' ' A' ' 34' ' ' VAL . 22.3 mt -114.59 134.56 54.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.891 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 1.2 t -74.46 98.27 3.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.828 HG12 ' CE2' ' A' ' 112' ' ' PHE . 72.5 t -69.22 68.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.239 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.891 ' CZ ' HG23 ' A' ' 68' ' ' THR . 1.3 mtm180 -61.42 119.88 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 73' ' ' PHE . 15.8 ttp180 -73.35 -64.21 1.03 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 92.7 p -57.91 79.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.033 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.963 ' CE2' ' HB3' ' A' ' 38' ' ' ALA . 10.3 t80 -52.6 160.11 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 73' ' ' PHE . 53.4 mt-10 -160.02 65.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -126.76 178.62 16.73 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' A' ' 78' ' ' PHE . 14.5 p90 -126.03 150.69 47.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.609 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 10.2 mt -36.73 -60.29 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.609 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.474 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.549 ' HZ2' HG13 ' A' ' 44' ' ' VAL . 34.9 m95 -92.75 -63.63 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.945 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.6 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 74.47 158.31 5.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 19.52 79.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 0.801 . . . . 0.0 110.394 -179.971 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' ' 86' ' ' VAL . 1.5 t -116.19 99.42 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 88' ' ' CYS . 5.1 m-20 -47.56 109.38 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.779 ' C ' HG23 ' A' ' 89' ' ' THR . 0.8 OUTLIER -53.87 -168.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.35 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.91 HG22 ' HB2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER 67.65 -4.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.959 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -108.93 -30.86 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.601 ' CB ' HG22 ' A' ' 40' ' ' VAL . . . -123.11 4.4 9.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 93' ' ' CYS . . . 49.76 60.59 3.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 3.8 m -43.93 164.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 108.325 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.453 ' HB2' ' C ' ' A' ' 107' ' ' GLY . 0.7 OUTLIER -126.53 150.84 48.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.17 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 67' ' ' LEU . 90.9 t -135.79 98.0 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -118.43 -169.02 14.45 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.434 1.084 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.892 HD23 ' HB3' ' A' ' 32' ' ' TYR . 2.7 mp -115.11 156.49 25.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -165.87 155.0 11.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.052 179.955 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -127.14 -76.07 0.22 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.562 1.163 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -167.71 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.454 1.766 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.631 ' CD ' HG22 ' A' ' 4' ' ' THR . 1.2 tp10 -165.66 -77.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.175 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.644 ' C ' HG23 ' A' ' 108' ' ' VAL . . . 146.21 -143.4 11.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.644 HG23 ' C ' ' A' ' 107' ' ' GLY . 2.9 t 80.62 77.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.32 107.85 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.38 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.737 HG21 HD12 ' A' ' 13' ' ' LEU . 2.4 mp -99.03 153.78 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -108.05 118.68 37.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.007 -179.98 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.91 ' HB2' HG22 ' A' ' 89' ' ' THR . 14.1 m-85 -90.73 122.57 33.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 t30 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.947 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.523 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 54.6 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.801 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -69.94 117.49 11.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -146.61 156.61 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.444 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.9 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.1 t -115.61 149.35 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.497 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -39.56 -56.79 2.74 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 179.965 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.9 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.95 -156.66 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.561 1.821 . . . . 0.0 110.969 -179.942 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.517 ' C ' HG23 ' A' ' 110' ' ' ILE . 39.5 t -161.94 -23.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.545 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 1.4 p -169.66 168.11 9.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 64.35 31.43 80.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.995 HD11 HG21 ' A' ' 110' ' ' ILE . 5.7 mt -66.27 -142.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 0.74 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.2 t -166.23 158.16 13.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.957 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.427 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 37.5 t0 -53.04 90.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.69 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 94.87 44.05 3.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -64.25 77.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.4 -179.954 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 16' ' ' GLY . 12.2 t -71.73 91.56 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.495 HG21 ' CD ' ' A' ' 9' ' ' PRO . 3.7 m -118.82 -175.29 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 65' ' ' THR . 12.8 tttt -87.18 124.28 33.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.633 HG22 HG13 ' A' ' 7' ' ' VAL . 11.4 t -108.03 149.22 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.35 158.16 44.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.766 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 75.75 -158.39 49.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.801 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . . . 140.73 -128.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LEU . . . -77.97 4.16 58.7 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.499 ' N ' ' OH ' ' A' ' 32' ' ' TYR . 3.0 tp 39.89 68.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.517 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 35.9 mt-30 -83.79 -110.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 174.4 67.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.17 44.66 11.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.13 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.6 m -122.78 162.41 22.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 0.753 . . . . 0.0 110.374 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.98 156.18 28.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.607 ' CD2' ' HB2' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -142.63 73.68 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 -179.969 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.4 OUTLIER -59.98 114.32 2.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.672 HG22 HD23 ' A' ' 97' ' ' LEU . 94.3 t -48.81 155.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.55 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -135.03 -85.74 0.22 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.381 1.05 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.55 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER 72.66 108.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 110.297 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.559 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 27.0 m -123.54 -178.42 4.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 108.325 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -138.38 100.07 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.843 ' CB ' HD12 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -79.34 129.58 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 107.982 179.994 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.722 HG21 ' CZ2' ' A' ' 83' ' ' TRP . 4.9 t -116.02 -36.63 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.426 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -167.99 -175.71 2.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.4 m -61.32 90.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.91 -5.91 59.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.158 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.796 ' HA ' HD21 ' A' ' 77' ' ' LEU . 2.9 t -95.83 43.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.466 0.745 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.843 HD12 ' CB ' ' A' ' 39' ' ' TRP . 5.9 tt -109.16 116.82 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.807 ' HB3' ' CD1' ' A' ' 83' ' ' TRP . . . -103.16 117.18 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.559 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.0 OUTLIER -72.53 167.59 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.256 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.595 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 8.0 t-20 -119.86 70.39 14.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.55 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.6 Cg_endo -74.89 27.44 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.069 179.937 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -103.49 -17.66 15.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.592 ' OD2' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -67.39 -62.7 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.57 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 1.3 t80 79.63 -27.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.592 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 66.8 m -33.84 155.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.933 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.47 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 28.2 p -160.04 147.81 16.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.906 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.869 HG12 HD22 ' A' ' 97' ' ' LEU . 1.6 p -145.15 -161.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.691 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.8 m -138.27 159.67 41.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.553 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -75.62 -171.47 1.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 60' ' ' ASN . 57.0 p30 -144.57 137.31 26.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.657 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -15.67 83.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.669 ' N ' ' O ' ' A' ' 58' ' ' ASP . 5.5 t30 148.6 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.471 ' HA3' ' C ' ' A' ' 27' ' ' GLN . . . 114.41 -6.95 22.83 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.502 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 6.6 t -80.08 138.15 36.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 109.934 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.756 ' CB ' HD13 ' A' ' 97' ' ' LEU . . . -83.89 169.79 14.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.452 ' O ' ' HB ' ' A' ' 65' ' ' THR . 21.6 m -168.22 111.13 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.978 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.863 ' HB ' HG21 ' A' ' 55' ' ' VAL . 9.0 t -177.84 -144.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 110.36 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.504 ' N ' ' OG1' ' A' ' 65' ' ' THR . 50.2 m -134.12 123.06 23.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.55 ' HB2' HG21 ' A' ' 21' ' ' VAL . 5.6 mp -116.07 157.63 24.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.42 93.84 7.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.056 HG12 ' CE2' ' A' ' 112' ' ' PHE . 12.0 t -72.37 66.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.378 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -55.43 142.51 32.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.228 -179.863 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.581 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 3.4 tmm_? -99.17 -68.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.356 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.434 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 45.4 t -96.44 123.07 39.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.982 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.595 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 5.8 p90 -160.72 -175.85 5.2 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' HB3' ' N ' ' A' ' 85' ' ' THR . 1.4 pm0 -118.72 88.13 2.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.438 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -84.27 179.43 51.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -138.56 139.89 38.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.796 HD21 ' HA ' ' A' ' 44' ' ' VAL . 7.1 mp -75.27 -47.67 26.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 26.0 ttt180 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.807 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -56.89 -79.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.939 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 121.88 159.97 10.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.833 ' O ' HG23 ' A' ' 85' ' ' THR . 5.5 t -60.81 66.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.612 ' N ' ' O ' ' A' ' 84' ' ' GLY . 9.9 p -117.8 161.55 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.404 ' HB3' HG22 ' A' ' 89' ' ' THR . 0.2 OUTLIER -73.22 122.27 21.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -76.38 -28.4 56.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 108.255 -179.953 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 2.5 t -49.26 -21.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -21.26 46.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -122.56 16.14 10.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 35.76 78.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 -179.935 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 5.6 p -65.86 175.66 1.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 108.308 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.571 HE22 HD11 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -126.92 139.24 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 179.951 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.042 HG11 HG13 ' A' ' 69' ' ' VAL . 1.1 p -121.51 121.49 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.66 171.02 37.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.869 HD22 HG12 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -97.45 157.64 15.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.764 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 33' ' ' ASP . 47.7 t -153.36 164.13 38.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 75.2 68.35 1.56 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -74.89 132.86 16.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.419 1.747 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.4 mm-40 157.86 44.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 106' ' ' GLU . . . -47.05 -98.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.581 1.176 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.973 HG12 ' O ' ' A' ' 95' ' ' VAL . 10.6 p -168.27 109.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.45 100.4 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.995 HG21 HD11 ' A' ' 13' ' ' LEU . 6.3 mt -112.39 156.18 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.545 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 1.3 m -86.35 112.27 21.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.056 ' CE2' HG12 ' A' ' 69' ' ' VAL . 5.5 m-85 -90.28 129.87 36.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.2 t30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.988 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . . . -86.42 148.93 25.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.955 ' O ' HG13 ' A' ' 21' ' ' VAL . 11.1 p -150.32 155.38 39.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.027 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.0 t -106.34 132.6 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.58 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.72 -60.53 0.75 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.027 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -75.04 -159.44 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.549 1.815 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 p -158.55 25.19 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.959 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.55 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 69.9 p -170.61 56.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.058 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.683 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -46.6 -31.45 5.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.55 ' CD1' ' O ' ' A' ' 11' ' ' SER . 0.8 OUTLIER 52.87 -76.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.683 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -36.89 122.85 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.937 -179.897 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.522 ' HA ' ' HG2' ' A' ' 71' ' ' ARG . 7.1 p-10 -58.01 92.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.681 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 99.82 40.6 3.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.837 ' O ' HG23 ' A' ' 69' ' ' VAL . 96.3 m -66.12 87.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.425 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.666 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.3 t -67.74 78.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.698 HG13 HG22 ' A' ' 17' ' ' THR . 0.6 OUTLIER -100.47 165.28 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.365 179.93 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.4 143.94 52.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.955 HG13 ' O ' ' A' ' 6' ' ' THR . 98.2 t -146.28 142.0 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.7 157.52 44.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.84 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 101.82 -172.4 22.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 145.01 -157.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.72 -2.84 3.81 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.554 1.159 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.659 HD11 ' OD1' ' A' ' 60' ' ' ASN . 1.1 tp 47.91 67.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.397 0.704 . . . . 0.0 109.237 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.713 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 47.8 tp60 -84.77 -98.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 161.82 79.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.908 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.36 69.9 1.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.449 1.093 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -153.47 153.49 32.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 0.767 . . . . 0.0 110.406 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.23 150.77 10.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.723 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 2.9 m-85 -150.58 79.85 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' SER . 8.3 t70 -60.79 119.63 8.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.44 1.088 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 1.009 HG13 HD13 ' A' ' 67' ' ' LEU . 71.2 t -56.29 159.21 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' HA2' ' CG ' ' A' ' 51' ' ' ASP . . . -143.48 148.25 19.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -139.09 111.88 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.603 ' CB ' HD21 ' A' ' 45' ' ' LEU . 21.9 m -123.8 -179.46 4.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 108.294 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.521 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -145.75 101.93 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.947 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -72.84 132.19 43.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.994 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.619 HG22 ' HB1' ' A' ' 91' ' ' ALA . 56.5 t -124.49 -111.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.547 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -59.97 -178.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.5 m -71.5 88.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 179.985 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.91 -10.06 40.49 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.903 HG13 HD13 ' A' ' 77' ' ' LEU . 7.5 t -90.45 86.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.947 HD12 ' HB2' ' A' ' 39' ' ' TRP . 6.3 tt -113.83 115.16 27.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.24 -179.936 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.941 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -82.85 97.81 8.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.509 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -81.87 142.78 32.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 108.235 -179.993 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.64 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 5.1 t-20 -110.1 96.84 27.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -75.01 35.16 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.77 . . . . 0.0 111.056 179.92 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -127.58 2.06 6.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -36.54 -38.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 13.3 m-85 62.26 -61.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.1 m -33.36 145.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 110.005 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.441 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 14.6 p -161.89 139.5 8.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.87 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.2 p -144.17 -154.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.688 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -144.51 161.6 38.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.723 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -71.34 -179.71 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.702 ' O ' ' C ' ' A' ' 59' ' ' ALA . 55.9 p-10 -137.01 134.65 36.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.702 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.12 82.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.659 ' OD1' HD11 ' A' ' 26' ' ' LEU . 6.7 t30 146.08 -35.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.611 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 117.04 -3.98 18.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.478 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -76.78 127.42 32.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 109.969 -179.993 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.19 158.64 28.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.476 ' O ' HG21 ' A' ' 55' ' ' VAL . 92.4 p -153.62 113.43 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.97 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.87 ' HB ' HG21 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.05 169.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.925 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.725 ' C ' HD23 ' A' ' 67' ' ' LEU . 7.6 m -94.18 125.85 39.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.009 HD13 HG13 ' A' ' 34' ' ' VAL . 3.4 mt -106.77 139.56 41.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.916 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.3 t -82.65 103.86 12.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.837 HG23 ' O ' ' A' ' 17' ' ' THR . 3.0 t -70.12 64.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.916 ' NE ' HG23 ' A' ' 68' ' ' THR . 11.3 mtm180 -65.21 127.44 31.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.561 ' CG ' ' H ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -84.78 -76.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.226 -179.926 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.561 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 46.1 t -55.58 99.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.64 ' CE2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -137.89 164.04 29.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.98 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.46 ' HB3' ' N ' ' A' ' 85' ' ' THR . 0.3 OUTLIER -121.31 70.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.616 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -58.9 168.95 5.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.497 ' O ' ' C ' ' A' ' 77' ' ' LEU . 5.9 m-85 -118.6 130.61 55.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.903 HD13 HG13 ' A' ' 44' ' ' VAL . 2.3 mm? -33.04 -62.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.583 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.941 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -48.65 -81.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 108.027 179.959 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 163.33 146.59 4.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 85' ' ' THR . 4.8 m -69.42 69.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.515 HG22 ' H ' ' A' ' 87' ' ' ASP . 9.8 p -115.87 170.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.811 ' HB3' HG22 ' A' ' 89' ' ' THR . 2.8 m-20 -60.81 89.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 71' ' ' ARG . 13.9 p -49.45 -24.88 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 -179.921 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.811 HG22 ' HB3' ' A' ' 87' ' ' ASP . 10.0 t -52.27 -27.02 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.346 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.56 -25.73 65.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.619 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -111.53 30.66 6.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 38.11 56.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.228 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.66 ' SG ' ' CG ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -42.64 162.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 108.324 179.984 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -135.73 151.14 49.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.931 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.525 HG12 ' CD1' ' A' ' 110' ' ' ILE . 9.7 p -132.94 117.59 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.477 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -132.34 -155.88 8.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -112.26 150.79 30.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 0.708 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -135.23 153.02 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.976 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.404 ' HB2' ' CG ' ' A' ' 99' ' ' ASP . 4.9 t30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.44 135.04 13.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.685 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.5 Cg_endo -75.0 -153.13 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.481 1.78 . . . . 0.0 111.017 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.685 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 7.7 tt0 103.89 150.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.477 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . -168.1 -82.13 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.942 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.719 HG11 ' HA ' ' A' ' 6' ' ' THR . 1.2 p 178.82 132.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 0.781 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.44 107.91 12.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.525 ' CD1' HG12 ' A' ' 95' ' ' VAL . 2.3 mp -107.58 159.45 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 0.8 OUTLIER -88.84 87.09 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.075 179.929 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.681 ' CE2' HG12 ' A' ' 69' ' ' VAL . 23.3 m-85 -72.27 171.1 12.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.789 ' HB3' HG21 ' A' ' 89' ' ' THR . 4.5 t30 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.497 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.942 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -78.47 135.9 37.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.604 ' O ' HG13 ' A' ' 21' ' ' VAL . 66.6 p -153.56 152.99 31.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.978 HG22 HG22 ' A' ' 21' ' ' VAL . 3.2 t -106.17 122.26 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.783 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -29.38 -70.43 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.783 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.98 -89.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.696 ' HA ' HG23 ' A' ' 110' ' ' ILE . 1.4 p 89.99 36.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 110.01 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.666 ' O ' HD23 ' A' ' 13' ' ' LEU . 26.3 t -164.72 144.4 7.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.6 35.9 17.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.076 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.831 HD22 HG21 ' A' ' 17' ' ' THR . 11.8 mt -87.04 -93.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 109.23 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.52 ' OG ' ' N ' ' A' ' 15' ' ' ASP . 2.0 t 51.94 -178.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.52 ' N ' ' OG ' ' A' ' 14' ' ' SER . 11.4 t0 52.18 29.75 6.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.426 ' HA2' ' N ' ' A' ' 70' ' ' ARG . . . 57.62 47.24 89.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.4 1.062 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.831 HG21 HD22 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -61.96 93.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 110.385 -180.0 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.984 HG12 ' HB3' ' A' ' 66' ' ' SER . 1.8 t -70.73 88.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.67 HG13 HG23 ' A' ' 17' ' ' THR . 0.8 OUTLIER -100.9 166.52 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.232 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -66.46 115.87 6.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.911 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.978 HG22 HG22 ' A' ' 7' ' ' VAL . 73.4 t -115.6 139.53 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.237 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.01 164.77 26.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.85 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 85.22 -168.37 42.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.935 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.942 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . . . 148.72 -133.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 0.0 109.349 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.43 2.13 58.77 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.118 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 1.9 tp 43.6 56.44 4.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.763 . . . . 0.0 109.233 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 7.3 mm-40 -85.25 -99.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 173.69 96.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.588 1.18 . . . . 0.0 109.23 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 43.27 40.05 4.4 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.514 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 15.7 m -111.3 153.95 25.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.426 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.37 145.95 13.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.823 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 3.5 m-85 -151.69 81.03 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 53' ' ' SER . 1.2 t70 -59.16 132.45 54.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.223 -179.944 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.598 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 20.8 t -65.15 151.94 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -131.86 -162.4 10.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.7 OUTLIER 162.24 112.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.469 0.747 . . . . 0.0 110.308 179.969 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 32.7 m -130.3 178.24 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 108.313 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.856 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . . . -145.76 124.73 12.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.581 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -96.75 127.15 42.46 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.946 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.714 HG22 ' CB ' ' A' ' 91' ' ' ALA . 32.8 t -113.96 -27.88 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 0.7 OUTLIER 175.94 173.53 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.9 m -55.35 92.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.98 -12.64 45.33 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.495 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 2.2 t -95.83 39.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.246 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.946 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -96.52 98.41 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.95 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -87.61 111.54 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.432 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -84.93 162.31 19.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 108.238 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 35.2 t30 -115.53 86.97 16.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.188 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 41.57 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.531 1.806 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.445 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.72 5.58 2.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.522 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -38.37 -47.91 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 66.46 -59.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.97 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.598 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.2 m -37.1 156.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.945 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.502 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 59.9 p -167.25 145.89 4.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.925 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.957 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.2 p -151.3 -158.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.718 ' H ' HG22 ' A' ' 55' ' ' VAL . 3.2 m -139.81 171.17 14.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.823 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -90.39 174.48 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.597 1.186 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.8 p30 -128.7 120.59 26.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.543 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.62 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.5 m-20 -34.73 -46.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.372 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.563 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 125.06 6.96 6.15 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -86.23 135.63 33.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 0.802 . . . . 0.0 109.995 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.85 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -74.7 165.92 24.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.5 m -159.5 108.98 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.957 ' HB ' HG21 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.84 169.43 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.404 -179.992 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.984 ' HB3' HG12 ' A' ' 18' ' ' VAL . 4.4 m -86.92 124.86 33.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.733 ' HB2' HG21 ' A' ' 21' ' ' VAL . 10.3 mp -113.25 131.45 55.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.757 HG23 ' NE ' ' A' ' 70' ' ' ARG . 3.9 t -77.73 97.69 5.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.426 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.048 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.8 t -67.2 67.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.757 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -58.0 132.75 54.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.942 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 29.9 ttp180 -91.76 -77.76 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 5.2 t -90.7 132.56 35.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 110.016 179.932 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 85' ' ' THR . 3.7 p90 -174.59 -163.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.707 ' HA ' ' CA ' ' A' ' 84' ' ' GLY . 2.4 mt-10 -99.38 141.52 32.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' O ' ' A' ' 83' ' ' TRP . . . -152.97 -178.68 27.83 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 179.956 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.617 ' CZ ' ' CB ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -153.92 142.65 20.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 111.035 179.931 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.53 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 7.0 mp -67.89 -47.8 67.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.3 t80 . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.617 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.522 ' NE1' HG11 ' A' ' 86' ' ' VAL . 6.4 t-105 -152.01 -172.81 4.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.707 ' CA ' ' HA ' ' A' ' 74' ' ' GLU . . . 119.25 -167.65 13.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.753 ' O ' HG23 ' A' ' 85' ' ' THR . 1.1 t 39.51 39.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 0.0 110.388 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.522 HG11 ' NE1' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -142.43 154.07 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.844 ' HB2' HG22 ' A' ' 89' ' ' THR . 24.2 p-10 -80.06 96.1 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 1.4 p -40.43 -31.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 108.293 -179.936 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.844 HG22 ' HB2' ' A' ' 87' ' ' ASP . 15.3 t -44.43 -25.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.512 1.132 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -67.82 -26.54 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.714 ' CB ' HG22 ' A' ' 40' ' ' VAL . . . -129.83 31.16 4.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.578 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 25.62 84.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.352 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.856 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 2.7 p -64.08 -172.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 108.297 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 4.7 pm0 -147.89 154.9 41.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.656 HG21 ' HA ' ' A' ' 69' ' ' VAL . 86.0 t -123.58 110.6 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.165 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 106' ' ' GLU . . . -128.28 167.9 20.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.458 1.099 . . . . 0.0 111.041 179.936 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 32' ' ' TYR . 4.3 mm? -91.66 154.94 18.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.11 137.18 42.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.7 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 78.56 -175.69 54.73 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 148.81 36.21 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.558 1.82 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.475 ' CG ' ' HA3' ' A' ' 96' ' ' GLY . 44.7 mp0 -99.5 -78.6 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 134.91 43.4 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.541 1.151 . . . . 0.0 111.093 -179.931 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 94' ' ' GLN . 95.6 t -105.75 72.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.0 110.36 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 1.022 HG21 HG11 ' A' ' 69' ' ' VAL . 22.0 mt -110.58 150.96 12.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.51 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -89.18 104.79 17.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.071 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.048 ' CE2' HG12 ' A' ' 69' ' ' VAL . 30.0 m-85 -95.19 126.93 40.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.072 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 32.8 t30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.995 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.464 -0.199 . . . . 0.0 110.464 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.626 ' HB3' ' HA2' ' A' ' 96' ' ' GLY . . . -92.16 166.13 12.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.784 ' HA ' HG11 ' A' ' 108' ' ' VAL . 35.6 p -145.46 148.68 33.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.896 HG22 HG22 ' A' ' 21' ' ' VAL . 3.0 t -116.13 116.62 52.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.681 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -31.68 -65.88 0.2 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.982 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.681 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.01 -88.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.783 ' H ' HD11 ' A' ' 13' ' ' LEU . 3.4 t 69.76 43.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.57 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 53.8 p -167.93 120.62 0.88 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.41 45.76 95.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.783 HD11 ' H ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -150.81 -110.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.776 ' CB ' ' CD1' ' A' ' 112' ' ' PHE . 0.6 OUTLIER 42.45 -143.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.99 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.507 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 28.3 t0 52.07 49.68 20.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.17 18.91 65.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.556 HG21 ' HB2' ' A' ' 13' ' ' LEU . 2.4 m -86.35 111.2 20.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.831 HG12 ' HB2' ' A' ' 66' ' ' SER . 2.4 t -85.01 95.78 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -106.28 166.79 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.939 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -66.21 124.59 23.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.896 HG22 HG22 ' A' ' 7' ' ' VAL . 2.4 t -124.39 126.35 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.397 1.061 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.04 152.58 42.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.886 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 106.49 -171.53 17.49 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.097 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.771 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 141.99 -154.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 0.805 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -3.62 6.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.579 1.174 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.693 HD11 ' OD1' ' A' ' 60' ' ' ASN . 35.5 tp 45.72 67.59 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 0.792 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.673 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 2.0 tp-100 -84.51 -105.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 164.55 69.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.63 67.11 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.075 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 31' ' ' ALA . 12.3 m -155.36 164.98 38.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.376 -179.904 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.408 ' N ' HG22 ' A' ' 30' ' ' THR . . . -73.08 153.55 40.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 3.8 m-85 -147.21 78.43 1.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -48.42 127.62 13.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.888 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.769 HG21 HD22 ' A' ' 67' ' ' LEU . 70.4 t -70.26 149.42 10.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.682 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -126.71 -172.66 13.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.534 1.146 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.559 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 176.22 107.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.297 -179.964 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.529 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 13.0 m -120.33 174.43 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.659 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -118.91 124.38 46.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.467 ' N ' HE22 ' A' ' 94' ' ' GLN . 0.4 OUTLIER -93.25 101.88 14.15 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.98 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.868 HG21 ' CZ2' ' A' ' 83' ' ' TRP . 59.3 t -87.25 -111.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.59 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -92.07 33.94 1.04 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.6 OUTLIER 70.66 -56.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.435 ' N ' HG22 ' A' ' 42' ' ' THR . . . -63.78 -15.61 58.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.407 1.067 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.473 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 6.2 t -124.24 120.51 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -130.5 106.33 8.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.71 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -85.13 98.19 10.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.529 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -76.34 152.96 36.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 179.942 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.656 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 45.9 t30 -113.66 91.67 21.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.528 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 18.0 Cg_endo -74.99 35.26 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -134.03 5.46 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -42.26 -45.64 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.485 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.2 OUTLIER 64.09 -56.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 51' ' ' ASP . 3.6 m -32.53 148.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.2 p -144.14 142.93 30.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.063 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.726 HG23 ' CG2' ' A' ' 65' ' ' THR . 0.8 OUTLIER -135.81 177.97 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.48 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.8 m -138.74 153.81 48.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.778 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -70.48 171.72 9.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.709 ' O ' ' C ' ' A' ' 59' ' ' ALA . 49.9 p30 -132.22 129.84 40.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.604 1.19 . . . . 0.0 109.23 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.709 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -4.61 73.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.708 ' N ' ' O ' ' A' ' 58' ' ' ASP . 13.1 t30 156.34 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.778 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 124.81 -10.75 7.92 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.492 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 48.2 t -75.93 132.81 40.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -81.1 164.74 22.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.358 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' A' ' 65' ' ' THR . 20.3 p -167.99 111.53 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 -179.952 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.726 ' CG2' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 177.49 172.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.997 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.831 ' HB2' HG12 ' A' ' 18' ' ' VAL . 77.5 p -85.0 124.07 31.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.886 ' HB2' HG21 ' A' ' 21' ' ' VAL . 21.3 mt -119.0 139.7 51.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.67 ' HB ' HG22 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -85.36 113.2 21.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.378 -179.979 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.671 HG11 ' HB ' ' A' ' 110' ' ' ILE . 2.0 t -87.51 61.72 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.641 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -48.4 127.05 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.24 -179.956 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.642 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 1.3 ttm180 -87.25 -76.24 0.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.4 t -74.15 107.06 6.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.056 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.656 ' CE2' ' HB2' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -151.37 -164.72 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.592 ' N ' ' CD2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -124.73 119.83 30.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.469 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -123.65 149.52 16.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.618 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 13.7 p90 -102.54 130.75 49.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 0.811 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.634 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 7.5 mp -43.0 -65.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 -179.913 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.868 ' CZ2' HG21 ' A' ' 40' ' ' VAL . 39.7 m95 -73.2 -62.27 1.53 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 -180.0 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.538 ' HA2' ' CB ' ' A' ' 74' ' ' GLU . . . 82.18 139.31 3.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.767 ' O ' HG23 ' A' ' 85' ' ' THR . 1.4 t 29.91 41.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 84' ' ' GLY . 2.4 p -97.84 146.63 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 179.965 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.586 ' HB2' HG22 ' A' ' 89' ' ' THR . 2.6 p30 -79.24 114.64 18.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.942 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 5.1 m -65.03 -37.45 87.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.332 179.967 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.586 HG22 ' HB2' ' A' ' 87' ' ' ASP . 4.7 t -48.89 -25.76 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -78.72 -20.08 50.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.393 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.593 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -133.48 26.67 4.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.593 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 23.81 77.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 58.5 m -58.56 174.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 179.984 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 4.9 pm0 -135.02 157.36 47.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 35' ' ' GLY . 7.3 p -131.13 107.95 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.626 ' HA2' ' HB3' ' A' ' 5' ' ' ALA . . . -122.22 165.5 15.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.436 1.085 . . . . 0.0 111.065 179.973 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.623 ' CD2' ' HB2' ' A' ' 5' ' ' ALA . 1.3 mm? -88.57 151.16 22.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.4 t -146.78 123.93 11.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.574 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 1.3 p30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 126.44 -149.76 17.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -169.89 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.562 1.822 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 94' ' ' GLN . 2.3 mp0 -71.13 -141.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -131.53 -56.85 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.784 HG11 ' HA ' ' A' ' 6' ' ' THR . 5.9 p -169.51 150.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.08 116.96 27.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 179.986 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.718 HG23 ' HA ' ' A' ' 10' ' ' SER . 1.5 mp -96.83 139.89 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.235 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.498 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -80.53 106.31 12.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.95 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.776 ' CD1' ' CB ' ' A' ' 14' ' ' SER . 0.8 OUTLIER -83.11 25.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 111.052 179.99 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.569 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . -98.35 158.15 15.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.631 ' O ' HG13 ' A' ' 21' ' ' VAL . 77.9 p -140.23 154.53 46.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.007 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.9 t -116.45 136.11 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.553 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.69 -59.32 0.75 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.411 179.973 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.007 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.09 -177.9 3.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.451 1.764 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 110' ' ' ILE . 8.8 p -140.52 -21.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 111' ' ' SER . 82.5 p -176.24 174.21 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 70.73 25.2 76.12 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.061 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 9' ' ' PRO . 4.7 mt -84.6 -150.01 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.6 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 2.0 t -152.64 140.85 20.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.51 ' CA ' ' HG2' ' A' ' 71' ' ' ARG . 62.6 t0 -42.47 117.51 1.03 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.411 ' HA2' ' OG1' ' A' ' 68' ' ' THR . . . 85.56 31.65 21.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.674 HG21 HD13 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -77.16 96.08 4.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 110.328 -179.917 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.998 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.4 t -87.22 86.49 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.709 HG23 ' CG1' ' A' ' 7' ' ' VAL . 2.9 m -110.67 162.41 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.989 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -53.76 138.61 35.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 -179.958 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.809 ' CG2' HG13 ' A' ' 7' ' ' VAL . 46.2 t -141.65 121.37 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -121.98 150.32 42.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.964 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.734 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 109.31 173.57 21.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 179.956 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 158.36 -155.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.11 -1.65 7.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.488 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 12.6 tp 52.47 67.03 1.05 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.421 0.718 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.519 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 9.2 mm-40 -92.3 -101.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 178.4 96.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 37.8 39.92 0.68 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.429 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -109.43 157.62 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.378 -179.95 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.35 147.1 8.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.887 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 2.0 m-85 -151.32 82.07 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 98' ' ' SER . 1.8 t70 -59.16 127.87 34.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.776 HG22 HD13 ' A' ' 67' ' ' LEU . 64.5 t -58.83 159.09 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.58 147.03 16.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.664 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -138.93 119.29 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.497 ' HB3' HD21 ' A' ' 45' ' ' LEU . 22.2 m -129.56 -178.18 4.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 108.319 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -147.77 123.98 10.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.81 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -98.33 133.2 43.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 107.969 -179.996 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.591 HG12 ' N ' ' A' ' 41' ' ' ASP . 58.8 t -123.65 -111.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.591 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -62.4 179.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.578 1.174 . . . . 0.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.8 m -68.74 90.96 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.74 -5.88 51.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.554 1.158 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 25.1 t -91.75 70.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.761 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.81 HD12 ' HB2' ' A' ' 39' ' ' TRP . 2.7 tt -117.03 112.79 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.508 ' HB1' ' N ' ' A' ' 76' ' ' PHE . . . -92.01 133.07 36.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -96.94 154.74 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 108.288 179.988 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.668 ' CG ' ' CD2' ' A' ' 73' ' ' PHE . 2.7 t30 -114.85 89.73 20.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.591 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 18.2 Cg_endo -75.09 42.07 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.56 1.821 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.32 2.55 3.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -40.63 -50.99 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.981 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 74.65 -58.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.996 -179.941 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.648 ' HB3' HG21 ' A' ' 34' ' ' VAL . 2.4 m -36.35 152.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.968 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.443 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 10.7 p -159.45 144.13 15.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 109.962 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.87 HG21 ' CG2' ' A' ' 65' ' ' THR . 2.1 p -147.05 -156.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.707 ' H ' HG22 ' A' ' 55' ' ' VAL . 3.2 m -139.75 170.22 16.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.887 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -91.74 177.79 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.653 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.0 p30 -131.03 119.6 22.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.536 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.89 -88.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.923 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.653 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.1 m-20 -34.91 -46.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.592 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 125.63 5.88 6.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 5.0 m -88.55 139.84 30.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -69.24 166.36 18.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 65' ' ' THR . 9.0 p -165.24 99.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.87 ' CG2' HG21 ' A' ' 55' ' ' VAL . 12.2 t -177.39 165.27 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 13.1 m -84.23 109.08 17.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.776 HD13 HG22 ' A' ' 34' ' ' VAL . 17.1 mt -104.98 152.07 23.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.998 ' HB ' HG22 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -96.66 114.49 26.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.347 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.867 HG13 ' CG1' ' A' ' 95' ' ' VAL . 1.1 t -86.78 57.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.918 ' NE ' HG23 ' A' ' 68' ' ' THR . 3.1 mtm180 -43.35 129.29 4.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.628 ' HA ' ' HB3' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -79.37 -75.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -180.0 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.602 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -58.56 100.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.984 -179.986 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.668 ' CD2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -137.86 152.3 48.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 179.992 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -87.31 98.3 11.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 179.958 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.425 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -69.47 121.68 11.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.547 1.155 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.591 ' CD1' ' HD2' ' A' ' 49' ' ' PRO . 92.2 m-85 -102.71 123.51 46.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 110.998 -179.94 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.568 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.2 mt -25.5 -75.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.99 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 1.161 ' CZ3' HG21 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -99.0 -89.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.989 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 81.68 111.36 0.38 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.748 HG22 ' O ' ' A' ' 85' ' ' THR . 0.7 OUTLIER 31.61 86.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.412 -179.947 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 1.161 HG21 ' CZ3' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -139.5 169.26 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.419 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.2 OUTLIER -90.03 119.58 30.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.628 ' HB3' ' HA ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -59.79 -46.39 89.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 108.263 -179.992 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 t -49.9 -23.02 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.437 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -88.06 -22.27 24.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.085 . . . . 0.0 110.383 -179.952 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.537 ' HB2' ' CZ2' ' A' ' 83' ' ' TRP . . . -119.04 17.17 13.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.173 . . . . 0.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 36.9 50.45 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -50.77 -178.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 108.269 -179.961 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.455 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 13.4 pm0 -147.39 160.78 42.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 179.982 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.867 ' CG1' HG13 ' A' ' 69' ' ' VAL . 10.4 p -133.82 101.19 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.468 ' CA ' ' HA3' ' A' ' 107' ' ' GLY . . . -111.32 -164.75 18.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.59 HD12 ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -105.67 153.95 21.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -139.29 153.74 47.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.98 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.361 179.908 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.97 65.29 3.64 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -167.25 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.4 ' O ' ' HA3' ' A' ' 96' ' ' GLY . 0.2 OUTLIER 69.31 165.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.343 179.962 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.468 ' HA3' ' CA ' ' A' ' 96' ' ' GLY . . . -178.83 -75.37 0.06 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.657 HG11 HG23 ' A' ' 7' ' ' VAL . 13.3 p -170.78 128.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 0.773 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -83.01 120.49 25.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.96 HD11 ' HB ' ' A' ' 7' ' ' VAL . 16.7 mt -115.66 147.97 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.574 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -111.59 124.49 52.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.965 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.802 ' CZ ' ' O ' ' A' ' 69' ' ' VAL . 3.1 m-85 -102.12 131.09 48.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.969 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 . . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.437 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -100.33 161.44 13.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.963 ' O ' HG13 ' A' ' 21' ' ' VAL . 78.4 p -148.26 154.85 40.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.951 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.887 HG13 HG22 ' A' ' 21' ' ' VAL . 1.9 t -99.39 152.72 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.501 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -55.27 -56.53 27.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.477 179.957 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.886 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.97 161.7 38.41 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.483 1.78 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.541 ' C ' HG23 ' A' ' 110' ' ' ILE . 3.8 m -133.89 4.97 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 179.963 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 111' ' ' SER . 89.7 p -176.32 157.84 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 109.976 179.957 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 13' ' ' LEU . . . 65.87 38.17 94.03 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.447 1.092 . . . . 0.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.922 HD11 ' CG2' ' A' ' 110' ' ' ILE . 53.4 mt -61.39 -142.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.9 t -171.13 151.56 3.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.422 ' HA ' ' HG3' ' A' ' 71' ' ' ARG . 6.1 p-10 -56.35 88.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.068 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 89.45 43.9 5.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.872 HG21 ' HB3' ' A' ' 13' ' ' LEU . 2.2 t -74.9 89.23 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 0.778 . . . . 0.0 110.365 179.947 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.59 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.3 t -78.82 81.18 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.916 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.634 ' CG2' HG12 ' A' ' 7' ' ' VAL . 10.3 m -101.11 177.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -72.09 139.58 48.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.963 HG13 ' O ' ' A' ' 6' ' ' THR . 86.4 t -141.96 137.45 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -136.18 160.81 37.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.874 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 104.51 171.09 24.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 156.55 -157.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.46 -0.84 5.13 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.432 1.083 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.569 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER 49.83 55.65 9.08 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.485 0.756 . . . . 0.0 109.353 179.96 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.511 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.4 mm-40 -81.97 -98.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 175.08 87.95 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.452 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 56.08 16.08 12.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.2 m -83.74 152.02 24.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 0.734 . . . . 0.0 110.346 -179.956 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -58.63 145.71 38.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.677 ' O ' HG12 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -148.19 80.13 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.97 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -47.31 137.03 8.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.544 HG22 HD21 ' A' ' 67' ' ' LEU . 16.2 t -78.72 139.98 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.16 135.77 9.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.524 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 1.5 tp60 -134.47 111.87 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 34.0 m -127.46 -174.43 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.601 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -144.4 101.24 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.542 ' HB2' HD12 ' A' ' 45' ' ' LEU . 6.0 t90 -84.75 134.65 34.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 107.945 -179.991 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.925 ' CG2' ' HB1' ' A' ' 91' ' ' ALA . 75.5 t -126.25 -40.22 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.418 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 2.1 m-20 -169.31 179.98 3.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 64.8 m -58.46 93.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.378 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.8 -10.17 52.29 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.478 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.1 t -98.32 44.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.597 ' C ' HD23 ' A' ' 45' ' ' LEU . 5.9 tt -114.26 94.3 4.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.08 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.642 ' HB1' ' C ' ' A' ' 75' ' ' GLY . . . -84.11 122.55 28.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.542 ' HB2' ' CG ' ' A' ' 78' ' ' PHE . 1.1 m -89.22 161.78 16.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.486 1.116 . . . . 0.0 108.287 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 45.9 t30 -117.74 80.79 14.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 18.0 Cg_endo -75.09 36.76 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 110.935 -179.89 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.625 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -130.13 -0.41 4.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.585 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -61.41 -63.39 1.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.625 ' CE2' ' O ' ' A' ' 50' ' ' ALA . 9.1 m-85 77.39 -30.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.538 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 18.7 m -35.68 149.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.028 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 t -144.31 145.79 32.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.994 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 32' ' ' TYR . 7.4 p -135.14 169.02 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.562 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.4 m -128.59 142.06 51.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.372 1.045 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -68.68 171.5 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.9 p30 -132.29 121.12 23.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.529 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.69 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.651 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.8 m120 -37.57 -45.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.569 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 127.88 -0.43 6.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.945 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.472 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -78.87 140.12 38.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 0.746 . . . . 0.0 109.994 179.95 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.874 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -72.12 159.42 34.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' A' ' 65' ' ' THR . 24.9 p -161.31 105.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 -179.934 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.58 ' HB ' HG23 ' A' ' 55' ' ' VAL . 2.2 t -177.88 174.82 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 4.5 m -90.26 116.04 27.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.685 ' HB2' HG21 ' A' ' 21' ' ' VAL . 9.8 mp -105.02 142.93 33.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.664 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 1.8 t -91.56 99.97 12.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.776 HG12 ' CE2' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -78.35 66.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.664 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -62.44 141.2 58.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.252 -179.972 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.614 ' HB3' ' CD2' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -110.26 -71.08 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.18 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.422 ' H ' ' HG3' ' A' ' 71' ' ' ARG . 0.3 OUTLIER -62.07 103.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.017 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.654 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -156.08 -160.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.183 . . . . 0.0 110.947 -179.992 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -117.0 103.05 9.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.642 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -67.16 121.65 16.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.922 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.593 ' O ' ' C ' ' A' ' 77' ' ' LEU . 75.7 m-85 -97.54 119.94 37.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 0.8 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.593 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.1 mt -23.04 -78.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.542 ' CG ' ' HB2' ' A' ' 47' ' ' CYS . 20.9 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.434 ' HB2' HD21 ' A' ' 77' ' ' LEU . 12.6 ttt180 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -100.81 -106.47 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -179.963 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.687 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 121.72 -149.13 17.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.6 m -50.54 75.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.758 . . . . 0.0 110.399 -179.978 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.687 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.5 OUTLIER -141.12 163.94 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.606 ' HB2' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -89.37 121.87 32.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.961 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.654 ' SG ' ' CZ ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -59.71 -30.42 68.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 108.273 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.606 HG22 ' HB2' ' A' ' 87' ' ' ASP . 1.8 t -50.84 -17.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -92.72 -15.25 26.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.925 ' HB1' ' CG2' ' A' ' 40' ' ' VAL . . . -126.9 12.46 7.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 42.37 89.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.612 ' CB ' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -62.69 -176.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 108.308 -179.924 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.511 ' OE1' ' CA ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -159.22 142.52 14.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.342 -179.929 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 1.013 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.2 p -132.86 123.64 49.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.364 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.458 ' HA3' ' HA2' ' A' ' 107' ' ' GLY . . . -143.0 -166.51 11.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.918 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -82.07 156.41 24.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.742 . . . . 0.0 109.291 -179.948 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.88 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -156.33 119.2 4.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.568 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.568 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 90.8 -170.74 35.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 118.86 5.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.924 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.91 31.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.458 ' HA2' ' HA3' ' A' ' 96' ' ' GLY . . . -92.54 153.52 21.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 1.013 HG12 ' O ' ' A' ' 95' ' ' VAL . 13.6 p -81.59 114.36 22.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -66.32 113.97 5.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.143 . . . . 0.0 109.38 179.927 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.922 ' CG2' HD11 ' A' ' 13' ' ' LEU . 95.8 mt -121.83 154.19 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.512 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -84.37 117.97 23.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 -179.984 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.776 ' CE2' HG12 ' A' ' 69' ' ' VAL . 23.2 m-85 -98.11 127.37 44.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.449 ' OD1' ' NH2' ' A' ' 71' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.926 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.472 -0.195 . . . . 0.0 110.472 . . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . . . -98.72 168.75 9.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.444 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 26.6 p -151.63 157.49 42.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 179.989 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.847 HG22 HG23 ' A' ' 21' ' ' VAL . 13.9 t -105.71 119.25 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.696 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -33.46 -66.57 0.21 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.409 179.962 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.696 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.96 -163.86 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.525 ' HA ' HD13 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -161.82 36.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.996 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.766 ' OG ' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -140.74 94.27 2.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.04 179.989 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.67 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -71.48 -0.1 36.86 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.41 1.069 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.766 HD21 ' OG ' ' A' ' 11' ' ' SER . 4.5 mt -13.54 -63.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.777 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.5 t -75.83 96.24 3.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 110.04 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.482 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 7.3 p-10 -45.02 108.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.65 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 92.2 32.74 8.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.435 1.084 . . . . 0.0 110.96 179.927 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.492 HG21 ' HA2' ' A' ' 12' ' ' GLY . 1.3 t -74.8 95.13 2.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 0.752 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.609 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.2 t -68.15 75.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.8 OUTLIER -82.14 165.37 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 65' ' ' THR . 8.9 tttt -62.94 135.81 57.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.847 HG23 HG22 ' A' ' 7' ' ' VAL . 1.1 t -127.76 142.15 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.918 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.76 148.58 33.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.864 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 97.69 -171.75 26.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.937 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.763 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 145.18 -155.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 0.787 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.29 -3.42 3.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.477 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 46.99 66.56 0.97 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 0.765 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.686 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 67.1 tp60 -76.77 -99.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 163.0 46.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.06 71.53 1.0 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.443 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -156.81 158.41 36.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.787 . . . . 0.0 110.341 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.54 151.08 21.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.711 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 2.8 m-85 -148.68 79.2 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.6 OUTLIER -56.59 131.37 48.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.593 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 2.6 t -66.38 161.57 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.563 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -138.13 -171.97 12.38 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.573 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 174.25 115.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 0.807 . . . . 0.0 110.258 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.553 ' O ' ' HB3' ' A' ' 93' ' ' CYS . 5.1 m -122.76 171.5 9.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 108.341 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.526 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -141.55 165.63 26.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.618 ' HE1' ' NE2' ' A' ' 94' ' ' GLN . 21.0 m95 -118.59 121.36 40.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.008 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.542 HG21 ' CG ' ' A' ' 83' ' ' TRP . 10.3 t -88.76 -127.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.947 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.695 ' O ' HG22 ' A' ' 42' ' ' THR . 3.9 t0 -114.11 145.45 41.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 42' ' ' THR . . . . . 1.006 HG22 HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER 81.2 19.83 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.446 -179.973 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.05 0.62 89.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 1.006 HG23 HG22 ' A' ' 42' ' ' THR . 4.6 t -49.14 142.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.561 HD12 ' CZ2' ' A' ' 39' ' ' TRP . 2.9 tt -134.67 106.12 6.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.461 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -102.82 126.2 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 1.3 m -91.46 156.34 17.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.347 1.029 . . . . 0.0 108.24 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.769 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 16.6 t-20 -107.6 97.66 20.91 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -74.97 36.22 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.454 1.765 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.75 8.27 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -36.57 -41.42 0.3 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.41 -61.82 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.934 179.985 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.593 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 4.3 m -35.48 151.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 52.9 p -158.35 143.99 16.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.956 HG21 ' CG2' ' A' ' 65' ' ' THR . 0.6 OUTLIER -146.4 -162.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.966 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.699 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.2 m -146.32 163.97 33.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.941 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.711 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -73.87 -179.84 3.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.702 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.5 p30 -137.02 134.35 36.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.702 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.41 80.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.662 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.2 t30 148.51 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.584 1.177 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.635 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 121.15 -8.1 10.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -75.9 134.81 40.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 0.783 . . . . 0.0 109.979 -179.978 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.864 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -81.62 161.78 23.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.511 ' O ' ' HB ' ' A' ' 65' ' ' THR . 98.3 p -163.25 117.36 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.956 ' CG2' HG21 ' A' ' 55' ' ' VAL . 3.1 t 177.46 -128.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.566 ' N ' ' OG1' ' A' ' 65' ' ' THR . 23.5 m -151.76 135.68 16.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.0 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.769 HD22 HG21 ' A' ' 21' ' ' VAL . 6.6 mp -118.1 136.09 53.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.227 -179.952 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.609 ' HB ' HG22 ' A' ' 18' ' ' VAL . 8.8 t -80.65 105.34 11.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.199 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.9 t -77.04 63.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.65 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -49.57 126.52 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.59 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 10.6 ttm180 -67.01 -76.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.461 ' HA ' ' N ' ' A' ' 87' ' ' ASP . 16.5 p -57.3 118.32 4.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 179.953 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.769 ' CZ ' ' HB2' ' A' ' 48' ' ' ASN . 6.9 t80 -119.06 138.81 52.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.508 ' HA ' ' HA3' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -148.26 68.09 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.02 -161.15 28.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.573 1.171 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 5.8 t80 -129.49 152.0 49.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.918 HD12 ' CZ2' ' A' ' 83' ' ' TRP . 1.6 mt -60.56 -53.54 56.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.612 ' C ' ' CG ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.918 ' CZ2' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -171.8 -82.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 0.0 108.047 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.634 ' O ' ' HB3' ' A' ' 73' ' ' PHE . . . 70.01 0.79 29.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.597 HG21 ' HB3' ' A' ' 91' ' ' ALA . 12.0 t 37.55 29.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.783 HG13 ' N ' ' A' ' 87' ' ' ASP . 5.1 p 31.03 -139.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.783 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -22.75 94.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.753 ' O ' ' N ' ' A' ' 92' ' ' ALA . 19.9 m -41.59 -44.94 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 108.342 -179.996 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.713 HG21 ' C ' ' A' ' 113' ' ' ASN . 0.2 OUTLIER -39.18 -27.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 179.967 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 88' ' ' CYS . 4.8 m -67.64 -28.59 67.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.778 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . -135.82 -40.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.778 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 94.12 67.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 37' ' ' CYS . 1.8 m -52.36 -176.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 108.364 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.618 ' NE2' ' HE1' ' A' ' 39' ' ' TRP . 17.8 pm0 -131.26 156.07 46.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.573 HG23 ' HG2' ' A' ' 36' ' ' GLN . 3.3 p -132.18 128.01 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -140.92 -170.83 12.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.731 HD21 HG12 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -109.5 156.0 20.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 1.2 t -137.02 157.56 46.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.99 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.415 ' OD1' ' HB2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.415 ' HB2' ' OD1' ' A' ' 99' ' ' ASP . 2.1 m-80 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.1 140.77 43.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -90.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 60.4 51.7 5.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 -179.954 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.28 -102.48 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.43 1.081 . . . . 0.0 111.039 179.931 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.439 HG11 ' H ' ' A' ' 7' ' ' VAL . 4.9 p -169.05 134.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.5 113.61 9.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 1.003 HG21 HG11 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -103.5 154.28 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 12' ' ' GLY . 59.3 m -94.1 100.17 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.043 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 1.199 ' CE2' HG12 ' A' ' 69' ' ' VAL . 32.9 m-85 -86.37 171.49 11.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.94 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.713 ' C ' HG21 ' A' ' 89' ' ' THR . 40.3 t30 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.853 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -78.77 -54.78 1.06 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.948 ' O ' HG23 ' A' ' 4' ' ' THR . 18.1 Cg_endo -75.01 102.07 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.948 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -178.55 147.65 0.41 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.446 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 97' ' ' LEU . . . -98.44 156.76 16.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.739 ' O ' HG13 ' A' ' 21' ' ' VAL . 26.5 p -151.62 157.15 41.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.001 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.1 t -109.75 136.63 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.544 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.62 -58.78 0.98 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.001 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -74.99 175.58 11.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.558 1.82 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.452 ' HA ' HG12 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -159.09 16.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.623 1.202 . . . . 0.0 110.009 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 111' ' ' SER . 20.4 p 167.56 159.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.441 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 65.77 35.82 91.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.897 HD12 HG11 ' A' ' 69' ' ' VAL . 4.6 mt -93.8 -149.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -150.92 168.1 25.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.586 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 13.4 p-10 -63.59 94.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.613 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 95.84 35.94 5.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.558 1.161 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -66.32 80.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 0.757 . . . . 0.0 110.437 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 16' ' ' GLY . 6.2 t -72.21 96.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.849 HG21 ' CG ' ' A' ' 9' ' ' PRO . 33.4 m -120.32 178.82 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -65.99 140.33 58.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.039 HG11 HD22 ' A' ' 67' ' ' LEU . 73.7 t -143.16 141.22 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.39 1.056 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -145.98 154.54 42.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.854 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 109.67 171.96 20.5 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.538 1.149 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.49 -163.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.28 -6.84 2.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.559 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 54.87 59.7 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.527 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 20.7 mm-40 -86.8 -98.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 176.17 93.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.54 17.7 13.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.075 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.0 m -81.5 164.14 22.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 0.809 . . . . 0.0 110.457 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.4 145.89 29.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.541 ' CD1' HD23 ' A' ' 97' ' ' LEU . 3.7 m-85 -143.75 77.12 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -45.52 117.83 1.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.16 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.626 HG21 ' HG ' ' A' ' 67' ' ' LEU . 73.6 t -58.43 153.73 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.98 153.57 24.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.552 ' HG3' HG23 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -146.15 119.78 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.35 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.512 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 19.6 m -123.12 178.23 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.837 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -128.6 108.33 10.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -87.43 111.78 21.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 107.998 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 41' ' ' ASP . 83.9 t -100.54 -106.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.648 ' N ' HG12 ' A' ' 40' ' ' VAL . 8.4 t0 -89.16 39.43 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 41' ' ' ASP . 1.1 m 65.79 -66.02 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.43 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -63.66 -14.17 53.91 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.619 ' HA ' HD11 ' A' ' 77' ' ' LEU . 2.9 t -115.9 93.66 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.412 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 8.1 tt -120.98 107.72 13.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.718 ' HB3' ' HD1' ' A' ' 83' ' ' TRP . . . -94.66 102.04 13.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.512 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -74.89 157.29 35.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 108.254 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 29.5 t30 -114.2 91.06 21.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 41.26 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -134.58 2.85 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.483 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -45.7 -56.1 5.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.476 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.95 -55.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.956 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.489 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.9 m -31.89 149.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.3 p -141.7 131.67 24.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.948 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.588 HG23 ' HB ' ' A' ' 65' ' ' THR . 6.3 p -115.77 145.95 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.6 m -104.94 146.53 28.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -79.62 166.25 22.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.5 p30 -126.57 120.33 29.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.632 1.207 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.06 -89.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.619 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.1 t-20 -36.57 -46.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.559 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.14 1.32 6.27 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.459 1.1 . . . . 0.0 111.059 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -79.11 132.89 36.73 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.443 0.731 . . . . 0.0 110.014 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.854 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -65.16 159.21 24.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.0 p -162.31 106.21 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.958 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.658 HG23 ' N ' ' A' ' 66' ' ' SER . 0.5 OUTLIER 178.1 -177.92 0.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.658 ' N ' HG23 ' A' ' 65' ' ' THR . 0.8 OUTLIER -94.02 124.82 38.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.039 HD22 HG11 ' A' ' 21' ' ' VAL . 5.1 mp -114.54 141.16 48.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.701 HG23 ' NE ' ' A' ' 70' ' ' ARG . 5.1 t -82.26 110.26 17.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.897 HG11 HD12 ' A' ' 13' ' ' LEU . 4.6 t -84.61 63.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.701 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -37.18 154.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.705 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 4.4 tmm_? -110.82 -63.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.463 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 97.0 p -117.8 145.44 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.932 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.452 ' CD2' ' OD1' ' A' ' 48' ' ' ASN . 52.3 p90 -178.89 -165.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 110.955 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HA ' ' C ' ' A' ' 84' ' ' GLY . 2.6 pt-20 -111.95 117.4 32.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -113.88 172.87 14.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 82' ' ' ARG . 1.5 t80 -149.81 140.31 22.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 111.076 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.637 ' O ' ' HB2' ' A' ' 78' ' ' PHE . 4.3 mm? -49.8 -70.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.637 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 67.8 t80 170.09 -28.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 t0 173.18 52.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.02 -63.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.436 1.085 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.473 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 23.0 m -125.27 165.57 18.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.75 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 76' ' ' PHE . 32.7 ttp180 -131.89 135.9 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.718 ' HD1' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -65.88 -78.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 107.977 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 124.25 161.8 11.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 85' ' ' THR . 1.3 m -65.54 68.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 110.347 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.558 HG22 ' H ' ' A' ' 87' ' ' ASP . 8.5 p -126.32 172.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.558 ' H ' HG22 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -65.58 136.8 56.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.614 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -95.0 -22.83 17.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 108.281 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.423 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 2.5 t -52.33 -23.77 6.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -22.78 49.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.513 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -115.08 18.12 16.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 35.42 69.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.837 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -51.63 -179.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.293 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 15.7 pm0 -148.69 150.95 34.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.553 ' CG1' HG21 ' A' ' 7' ' ' VAL . 12.6 p -131.74 121.72 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.426 ' HA3' ' CG ' ' A' ' 106' ' ' GLU . . . -138.62 -174.21 13.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.467 1.105 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.863 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -83.35 145.44 29.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.751 . . . . 0.0 109.357 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.863 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -137.24 137.15 38.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.434 ' OD1' ' CB ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -98.35 176.07 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.52 9.1 5.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -113.15 -12.24 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.242 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 68.55 44.56 71.6 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.48 ' O ' ' O ' ' A' ' 102' ' ' GLY . 9.3 p-10 -48.3 -179.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 0.741 . . . . 0.0 109.242 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -42.43 167.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.594 1.184 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.3 22.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.426 ' CG ' ' HA3' ' A' ' 96' ' ' GLY . 27.5 mm-40 -80.64 -156.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.27 29.38 0.11 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.408 1.068 . . . . 0.0 111.061 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.76 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.7 t -105.03 78.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.34 104.73 5.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.554 HG21 ' CD1' ' A' ' 13' ' ' LEU . 1.8 mt -109.34 141.33 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.457 ' HB3' ' CB ' ' A' ' 11' ' ' SER . 0.9 OUTLIER -85.38 108.17 17.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.916 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.791 ' CE1' HG12 ' A' ' 69' ' ' VAL . 12.9 m-30 -85.89 145.09 27.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 112' ' ' PHE . 62.0 t30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.624 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.884 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . 167.26 -55.55 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.884 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -74.94 69.4 5.51 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.504 1.792 . . . . 0.0 111.047 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 3' ' ' PRO . 1.1 p -163.62 150.89 12.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.424 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.462 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -100.55 168.74 9.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.918 ' O ' HG13 ' A' ' 21' ' ' VAL . 16.7 p -151.8 157.91 42.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.033 HG12 ' HD2' ' A' ' 9' ' ' PRO . 10.0 t -100.01 119.74 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.579 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -27.79 -60.34 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.393 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.033 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.07 -91.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.493 1.786 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.698 ' HA ' HG23 ' A' ' 110' ' ' ILE . 2.2 p 89.83 24.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.036 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.546 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 87.5 p -176.17 157.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.078 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.14 41.71 47.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.715 HD21 ' HB2' ' A' ' 9' ' ' PRO . 52.7 mt -99.74 -145.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.48 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.6 t -162.52 162.44 27.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.503 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 6.7 p-10 -57.32 98.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.474 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 94.1 39.3 4.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.655 HG21 ' HB3' ' A' ' 13' ' ' LEU . 2.9 m -80.77 91.33 5.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.8 t -71.24 90.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -108.66 172.27 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -77.08 143.11 39.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.918 HG13 ' O ' ' A' ' 6' ' ' THR . 91.0 t -137.15 138.66 45.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -137.8 157.1 47.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.775 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 101.67 -179.74 27.89 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 150.61 -160.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.46 ' HA2' ' CA ' ' A' ' 3' ' ' PRO . . . -61.79 -1.24 2.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.566 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.4 tp 47.86 62.59 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.804 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 6.6 mm-40 -89.97 -99.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.235 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 178.22 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.469 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 58.39 13.95 18.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 31' ' ' ALA . 20.0 m -74.29 165.3 25.42 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.53 0.782 . . . . 0.0 110.356 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.42 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -86.03 146.98 26.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.698 ' HD2' ' HB2' ' A' ' 63' ' ' ALA . 7.6 m-85 -143.19 77.68 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -50.66 122.59 7.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.615 HG12 ' OD2' ' A' ' 51' ' ' ASP . 97.0 t -65.2 149.55 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.78 145.31 15.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.613 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -130.19 113.58 14.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 0.742 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 4.6 m -124.87 169.2 12.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 108.274 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.47 104.89 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.072 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.448 ' CD1' ' O ' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -77.59 119.86 21.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 107.978 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.682 HG11 ' CZ2' ' A' ' 83' ' ' TRP . 16.4 t -109.97 -27.4 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.413 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -177.88 172.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.4 m -54.71 90.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 102.31 -6.85 53.63 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.098 . . . . 0.0 110.957 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.413 ' HB ' ' N ' ' A' ' 41' ' ' ASP . 2.7 t -98.42 39.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 105' ' ' PRO . 0.6 OUTLIER -98.55 111.54 23.87 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.925 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -86.57 100.0 12.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.376 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.504 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -82.35 145.43 29.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 108.303 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.613 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 30.6 t30 -116.09 80.38 9.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.99 26.47 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.614 ' O ' ' CG ' ' A' ' 52' ' ' PHE . . . -114.26 0.51 14.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.615 ' OD2' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -48.71 -42.87 36.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 50' ' ' ALA . 9.1 m-85 70.12 -49.22 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.451 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -35.13 151.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 t -151.03 138.45 19.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.908 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.017 HG23 ' HB ' ' A' ' 65' ' ' THR . 10.3 p -122.91 149.39 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 57' ' ' ALA . 1.3 m -106.31 148.76 27.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.508 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -77.2 171.12 15.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.9 p30 -132.2 121.06 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.512 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.35 -89.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.1 t-20 -36.98 -44.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.566 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.68 0.47 7.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.122 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 8.6 m -77.06 135.81 38.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 0.731 . . . . 0.0 109.955 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.38 157.1 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 0.0 109.35 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.407 ' O ' ' HB ' ' A' ' 65' ' ' THR . 21.5 p -155.89 110.68 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 1.017 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.94 166.74 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.4 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 10.0 p -88.73 127.88 35.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.697 HD22 HG11 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -110.2 144.86 38.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.703 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 9.1 t -84.77 99.65 11.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.39 1.056 . . . . 0.0 110.386 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.966 HG12 ' CE2' ' A' ' 112' ' ' PHE . 19.8 t -72.34 63.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.216 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.703 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.1 OUTLIER -63.21 129.72 41.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.503 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 5.1 tmm_? -89.46 -72.54 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.4 p -70.55 96.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CE2' ' HB2' ' A' ' 48' ' ' ASN . 4.2 p90 -138.1 156.53 47.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -92.22 98.73 11.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.605 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -97.91 150.44 19.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 5.0 m-85 -119.13 136.28 54.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.732 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 5.8 mp -55.55 -49.77 71.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.496 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER 75.05 15.49 2.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.93 21.9 0.51 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.406 ' C ' ' OG1' ' A' ' 81' ' ' THR . . . 179.97 -61.22 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.728 HG22 ' H ' ' A' ' 82' ' ' ARG . 7.9 m -157.08 -147.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.321 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.728 ' H ' HG22 ' A' ' 81' ' ' THR . 0.1 OUTLIER -140.33 150.75 44.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.925 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 45.4 m95 -77.62 -66.68 0.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 0.0 107.974 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.575 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 87.95 126.87 2.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 85' ' ' THR . 0.8 OUTLIER 23.86 81.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 110.327 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.7 p -128.67 150.77 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -80.96 118.31 22.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.67 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -63.96 -40.11 95.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 108.354 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.0 t -54.18 -24.51 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.3 m -82.95 -19.62 36.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.537 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -126.67 23.13 6.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 30.11 56.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.253 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.593 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 1.6 p -51.83 -175.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 108.241 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.495 ' CB ' ' C ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -146.49 159.19 43.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.34 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.922 HG12 HD12 ' A' ' 110' ' ' ILE . 3.1 p -135.21 98.27 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.491 ' HA3' ' CB ' ' A' ' 106' ' ' GLU . . . -116.18 177.08 16.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.0 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -80.74 155.37 26.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 0.742 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . 1.0 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -144.99 130.31 18.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.965 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -100.66 172.32 7.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.0 33.25 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -159.62 -42.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.365 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.582 ' O ' ' ND2' ' A' ' 103' ' ' ASN . . . -81.2 -56.2 3.08 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.51 1.131 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.582 ' ND2' ' O ' ' A' ' 102' ' ' GLY . 0.0 OUTLIER 37.94 -163.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.396 0.703 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.579 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 91.02 173.95 43.86 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.44 ' HB3' HD11 ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.01 128.73 11.7 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.555 1.819 . . . . 0.0 110.972 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.491 ' CB ' ' HA3' ' A' ' 96' ' ' GLY . 1.1 tp10 -79.37 -55.66 4.9 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 112.81 15.22 9.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 108' ' ' VAL . 15.0 t -71.99 70.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.584 0.814 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.95 118.15 7.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.246 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.949 HD11 ' CG2' ' A' ' 7' ' ' VAL . 88.5 mt -121.09 149.33 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.546 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -93.48 100.47 12.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.966 ' CE2' HG12 ' A' ' 69' ' ' VAL . 5.0 m-85 -85.07 15.07 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 112' ' ' PHE . 1.3 t30 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.873 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -78.41 -56.11 1.01 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.899 ' O ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo -74.96 78.52 2.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.547 1.814 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.899 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -176.29 143.47 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.496 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -103.19 161.26 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.854 ' O ' HG13 ' A' ' 21' ' ' VAL . 1.8 p -153.27 162.52 41.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.437 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.083 HG12 ' HD2' ' A' ' 9' ' ' PRO . 5.4 t -115.72 133.94 60.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.595 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -32.31 -61.44 0.32 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 110.392 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.083 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.01 -84.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER 86.47 24.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.986 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.414 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 61.2 p -178.61 139.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 72.97 33.45 59.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.95 HD12 HG11 ' A' ' 69' ' ' VAL . 8.3 mt -94.45 -151.3 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.805 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.23 171.76 18.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.523 ' CB ' ' HG3' ' A' ' 71' ' ' ARG . 30.7 t0 -67.2 100.1 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' OG1' ' A' ' 68' ' ' THR . . . 100.86 27.64 7.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.721 HG21 ' HB3' ' A' ' 13' ' ' LEU . 2.1 m -78.48 80.08 4.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 110.36 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.802 HG22 ' HB ' ' A' ' 68' ' ' THR . 10.4 t -72.61 94.87 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.651 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.4 OUTLIER -116.09 169.88 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.15 131.59 51.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.854 HG13 ' O ' ' A' ' 6' ' ' THR . 73.6 t -134.59 139.75 47.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.88 154.21 46.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.851 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 107.47 171.51 22.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.84 ' HB1' ' HG ' ' A' ' 97' ' ' LEU . . . 155.48 -161.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.68 -4.63 3.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.551 1.157 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.565 HD22 ' HB1' ' A' ' 2' ' ' ALA . 1.1 tp 53.34 60.41 3.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.438 0.728 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.527 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 7.9 mm-40 -84.99 -99.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 174.47 90.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.12 19.92 18.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 1.2 m -85.38 164.02 18.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.415 ' N ' ' CG2' ' A' ' 30' ' ' THR . . . -76.78 147.54 37.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.637 ' O ' HG12 ' A' ' 55' ' ' VAL . 3.1 m-85 -145.95 79.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -48.83 118.73 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.654 HG22 HD21 ' A' ' 67' ' ' LEU . 48.5 t -54.62 155.44 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.215 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.478 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -136.15 -169.15 11.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.389 1.056 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.771 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.1 OUTLIER 172.17 120.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 0.734 . . . . 0.0 110.243 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 11.4 m -134.48 172.98 12.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.606 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -145.16 127.14 15.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.916 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 44.3 t90 -79.06 129.32 34.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.024 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.577 HG21 ' NE1' ' A' ' 83' ' ' TRP . 88.7 t -114.34 -102.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.55 ' HB3' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -56.62 -162.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -76.0 -46.1 31.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.76 32.14 5.28 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.573 HG11 ' HZ2' ' A' ' 83' ' ' TRP . 13.8 t -124.5 127.35 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.8 tt -132.64 102.17 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.643 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -74.58 104.48 5.29 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.482 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -84.02 159.51 21.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.579 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 45.4 t30 -114.47 86.01 11.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -74.94 39.22 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.78 2.99 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -42.92 -52.04 5.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.393 1.058 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 65.81 -54.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.8 m -34.12 152.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 p -139.77 137.13 34.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 110.059 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 32' ' ' TYR . 3.1 p -125.66 160.04 32.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 57' ' ' ALA . 1.5 m -117.37 152.63 34.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -84.1 170.19 14.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.608 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.3 p30 -129.53 120.54 25.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.618 1.199 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.62 -90.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.39 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.608 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.4 m-80 -35.4 -46.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.547 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.68 0.39 6.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 111.089 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 67.2 m -78.26 137.09 37.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.777 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.851 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -68.33 161.86 26.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' A' ' 65' ' ' THR . 27.5 p -164.86 101.93 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.064 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.427 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.7 OUTLIER -179.98 174.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 110.431 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.723 ' HB3' HG12 ' A' ' 18' ' ' VAL . 16.2 m -84.47 120.48 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.952 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.714 ' HB2' HG21 ' A' ' 21' ' ' VAL . 6.1 mp -114.73 138.49 50.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.259 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 1.062 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -76.96 117.88 19.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 110.425 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.024 HG12 ' CE2' ' A' ' 112' ' ' PHE . 11.9 t -87.47 63.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 1.062 ' NE ' HG23 ' A' ' 68' ' ' THR . 1.0 OUTLIER -60.9 140.43 57.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.573 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 0.4 OUTLIER -110.7 -74.95 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.081 . . . . 0.0 110.359 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.2 t -69.0 83.08 0.32 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.552 1.158 . . . . 0.0 109.923 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.615 ' CD1' ' C ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -132.33 150.48 52.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.498 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 2.3 pt-20 -77.55 120.17 22.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.592 1.182 . . . . 0.0 110.386 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.587 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -110.16 150.53 17.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.57 ' CE2' ' HD2' ' A' ' 82' ' ' ARG . 7.3 m-85 -113.39 133.78 54.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.649 HD22 ' HB ' ' A' ' 81' ' ' THR . 10.6 mp -37.63 -60.95 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.622 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.4 t80 154.01 -20.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.53 -39.87 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 177.38 -34.16 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.649 ' HB ' HD22 ' A' ' 77' ' ' LEU . 6.8 m -59.49 166.62 2.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 0.776 . . . . 0.0 110.452 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.57 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -167.81 159.71 11.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.643 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 13.6 m95 -96.85 -61.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 108.017 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.498 ' HA2' ' CB ' ' A' ' 74' ' ' GLU . . . 102.77 144.81 14.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.768 ' O ' HG23 ' A' ' 85' ' ' THR . 3.8 t 30.98 49.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.727 . . . . 0.0 110.355 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.447 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -80.34 119.69 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.556 ' HB3' HG22 ' A' ' 89' ' ' THR . 1.1 m-20 -72.32 103.94 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.638 ' O ' ' N ' ' A' ' 92' ' ' ALA . 64.9 m -47.09 -38.92 12.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 108.273 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 87' ' ' ASP . 14.6 t -59.07 -26.16 64.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 87' ' ' ASP . 30.6 m -77.13 -28.56 54.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.916 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -132.4 35.65 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 21.63 62.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.206 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.606 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -54.74 -171.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.092 . . . . 0.0 108.35 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.509 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -144.52 158.35 43.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.088 . . . . 0.0 110.302 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.95 ' CG1' HD12 ' A' ' 110' ' ' ILE . 7.6 p -140.3 111.98 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.11 -171.61 12.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.952 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -72.66 154.46 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 0.754 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.952 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -143.22 95.44 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.022 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -90.14 -178.96 5.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.41 15.71 7.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -167.68 47.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -174.38 -35.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.499 ' HB3' ' CA ' ' A' ' 98' ' ' SER . 20.0 p30 -46.63 175.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.757 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.17 -146.27 18.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.429 ' HB3' HD13 ' A' ' 45' ' ' LEU . 18.4 Cg_endo -74.99 95.19 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.525 1.802 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 179.14 36.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.26 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -88.55 170.06 38.15 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.823 HG12 ' O ' ' A' ' 95' ' ' VAL . 11.3 p -95.6 119.06 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.633 0.843 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.53 110.75 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.226 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.95 HD12 ' CG1' ' A' ' 95' ' ' VAL . 63.7 mt -112.8 147.95 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.381 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -98.33 103.18 15.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.024 ' CE2' HG12 ' A' ' 69' ' ' VAL . 29.0 m-85 -86.46 129.11 34.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.239 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.715 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . 53.45 172.76 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.759 ' C ' HG22 ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.96 169.3 22.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 110.949 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.759 HG22 ' C ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER 172.12 167.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 110.456 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . -112.6 160.27 18.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.687 ' O ' HG13 ' A' ' 21' ' ' VAL . 2.6 p -153.27 165.12 36.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.984 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.6 t -96.16 135.18 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.538 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -38.25 -58.34 1.53 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.393 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.984 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -74.87 175.73 10.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.439 1.757 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.717 ' C ' HG23 ' A' ' 110' ' ' ILE . 10.1 p -153.36 16.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.045 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.506 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 80.9 p 176.39 161.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.34 35.68 90.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.061 HD12 HG11 ' A' ' 69' ' ' VAL . 4.6 mt -89.46 -143.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 0.783 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.38 161.19 16.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.484 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 51.8 t0 -64.74 94.64 0.13 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.432 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 93.37 34.51 6.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.077 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.827 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -82.39 96.89 8.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 110.384 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.648 HG12 ' HB3' ' A' ' 66' ' ' SER . 2.7 t -75.26 101.56 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.603 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -114.18 169.06 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.065 . . . . 0.0 109.238 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.98 127.91 33.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.784 HG22 HG13 ' A' ' 7' ' ' VAL . 78.7 t -128.07 139.13 52.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.06 159.85 41.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.884 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 101.15 174.14 28.86 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 156.7 -160.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.73 0.23 3.32 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.537 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 3.5 tp 48.93 63.43 2.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.412 0.713 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.518 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 11.2 mm-40 -92.85 -102.25 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 110.353 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -178.53 84.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.541 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 61.46 13.5 37.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.69 159.06 33.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 0.728 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.601 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -69.08 149.11 49.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.592 1.182 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 1.13 ' CG ' HD21 ' A' ' 97' ' ' LEU . 3.7 m-30 -149.32 81.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.548 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -53.81 128.47 29.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.528 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 46.7 t -67.21 146.04 13.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.078 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -123.35 -173.36 14.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.612 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 170.04 116.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 15.0 m -128.03 175.4 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.667 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -151.81 125.94 9.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.822 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -75.47 150.58 38.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 107.975 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.771 HG21 ' CD1' ' A' ' 83' ' ' TRP . 80.5 t -135.61 -106.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.669 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -58.7 163.87 3.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.1 m -62.43 89.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.15 -15.8 25.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.159 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.645 ' CG1' HD22 ' A' ' 77' ' ' LEU . 21.2 t -88.37 125.73 41.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.751 HD12 ' HB2' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -129.41 114.86 16.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.522 ' HB1' ' C ' ' A' ' 75' ' ' GLY . . . -94.39 113.34 25.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -81.87 167.98 18.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.155 . . . . 0.0 108.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 28.0 t-20 -113.79 87.78 12.93 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.03 40.92 0.69 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -138.32 4.86 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.469 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 1.3 p30 -42.04 -57.28 2.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.413 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 67.5 -51.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 111.021 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.516 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.9 m -38.42 149.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.055 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.6 p -146.56 142.44 28.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.94 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 56' ' ' THR . 1.6 p -132.54 166.1 30.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.488 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.1 m -124.07 147.64 47.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -72.0 175.02 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.655 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.0 p30 -133.37 119.94 20.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.533 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.7 -88.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.655 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.3 m120 -36.27 -46.65 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.537 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.43 -1.15 6.5 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.576 1.173 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 4.8 m -79.57 141.66 36.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.045 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.884 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.58 156.08 29.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.1 p -157.46 106.08 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.42 HG21 ' HB ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.98 170.52 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.178 . . . . 0.0 110.414 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.648 ' HB3' HG12 ' A' ' 18' ' ' VAL . 15.8 m -86.29 125.54 33.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.966 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.772 ' HB2' HG21 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -114.91 140.13 49.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.943 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -78.32 118.25 20.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.178 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.9 t -89.02 60.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.943 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.4 OUTLIER -48.11 136.39 11.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.228 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.524 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 1.3 ttp180 -106.88 -78.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 t -77.67 91.32 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.553 ' O ' HG12 ' A' ' 86' ' ' VAL . 7.2 p90 -138.62 165.57 26.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.464 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.9 OUTLIER -81.56 118.3 22.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.236 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.522 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -97.36 143.17 16.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 33.9 m-85 -116.7 124.53 49.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 0.736 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.791 HD12 ' HB ' ' A' ' 81' ' ' THR . 9.8 mt -39.85 -72.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.601 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER 154.11 -22.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.954 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -92.42 -72.73 0.58 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -159.65 24.54 0.31 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.443 1.089 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.791 ' HB ' HD12 ' A' ' 77' ' ' LEU . 24.9 m -128.24 164.65 22.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.449 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.416 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 1.4 ppt_? -162.11 141.7 9.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.771 ' CD1' HG21 ' A' ' 40' ' ' VAL . 71.1 m95 -73.91 -48.1 33.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 108.055 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.631 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 79.25 158.4 13.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 111.063 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 15.49 72.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 110.391 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 73' ' ' PHE . 9.0 p -120.39 143.6 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.21 116.24 22.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.678 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -65.4 -39.12 91.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.29 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.413 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 8.7 t -58.57 -22.26 55.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.6 m -83.08 -22.42 33.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.396 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.822 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -126.23 24.18 6.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 30.82 60.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.667 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 1.7 p -51.66 -177.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.694 HE22 HD11 ' A' ' 45' ' ' LEU . 12.6 pm0 -137.38 154.77 49.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.856 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.2 p -136.87 116.43 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.171 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -135.63 -158.66 8.3 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.547 1.154 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.13 HD21 ' CG ' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -93.82 165.2 12.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.221 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.548 ' O ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -154.05 116.29 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.047 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -44.19 170.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.63 -11.09 10.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -112.53 -12.01 13.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 69.86 48.62 40.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.454 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.6 t30 -53.24 -169.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 0.796 . . . . 0.0 109.37 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -34.67 144.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.03 -178.38 4.14 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.441 1.758 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 1.7 mm-40 160.08 49.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.452 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -76.06 167.32 54.63 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.856 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.6 p -101.77 119.98 50.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.75 107.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.815 HG21 HD11 ' A' ' 13' ' ' LEU . 66.2 mt -121.49 150.78 24.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.506 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -87.13 116.67 25.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.973 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.178 ' CE2' HG12 ' A' ' 69' ' ' VAL . 1.4 m-85 -96.6 126.32 41.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.4 t30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.487 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -148.8 61.04 5.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.964 ' O ' HG23 ' A' ' 4' ' ' THR . 18.4 Cg_endo -75.01 101.53 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.524 1.802 . . . . 0.0 111.048 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.964 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -179.35 150.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . -105.71 152.37 23.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.947 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.2 p -149.49 159.86 43.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.395 1.059 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.744 ' HA ' HG22 ' A' ' 21' ' ' VAL . 2.1 t -83.57 115.43 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.607 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -37.19 -61.92 0.64 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.444 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.743 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.03 -91.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.561 1.821 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.806 ' HA ' HG23 ' A' ' 110' ' ' ILE . 9.5 p 72.43 40.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.959 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.6 ' O ' HD23 ' A' ' 13' ' ' LEU . 65.7 p -153.61 133.66 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.078 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.33 44.08 4.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.947 HD12 HG11 ' A' ' 69' ' ' VAL . 13.8 mt -79.99 -152.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.51 0.77 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.436 ' CB ' ' OG1' ' A' ' 17' ' ' THR . 0.1 OUTLIER -148.59 172.22 14.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.566 ' HA ' ' HB2' ' A' ' 71' ' ' ARG . 64.6 t0 -67.43 108.47 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.19 29.25 41.72 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.897 HG22 HG13 ' A' ' 19' ' ' VAL . 53.7 m -72.03 84.4 0.99 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.437 0.728 . . . . 0.0 110.414 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.6 t -65.52 78.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.897 HG13 HG22 ' A' ' 17' ' ' THR . 21.7 m -85.23 -172.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -88.91 144.27 26.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.947 HG13 ' O ' ' A' ' 6' ' ' THR . 61.5 t -140.63 144.7 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -143.77 158.08 43.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.373 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.912 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 107.29 174.28 22.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.824 ' HB1' HD13 ' A' ' 97' ' ' LEU . . . 152.49 -161.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.22 -3.75 4.09 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 50.05 57.12 6.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 0.0 109.36 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.475 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 36.1 mm-40 -89.66 -100.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -179.13 89.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.589 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 64.36 13.74 55.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.425 1.078 . . . . 0.0 111.085 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 m -73.81 158.98 33.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 110.368 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.466 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -79.35 145.44 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.806 ' HB3' HD12 ' A' ' 97' ' ' LEU . 8.4 m-85 -145.67 76.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.03 134.69 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.508 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 3.6 t -76.27 154.75 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -127.42 -167.67 12.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.919 ' HB2' HG22 ' A' ' 95' ' ' VAL . 0.4 OUTLIER 164.02 107.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.781 . . . . 0.0 110.255 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 39.7 m -124.38 179.67 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 108.358 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.874 ' HB2' ' SG ' ' A' ' 88' ' ' CYS . . . -125.06 129.02 49.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.682 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -91.82 110.1 21.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 108.054 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.582 HG21 ' HE1' ' A' ' 83' ' ' TRP . 41.0 t -93.49 -116.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.558 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -90.57 37.18 0.9 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.433 1.083 . . . . 0.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 69.06 -59.31 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.474 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.449 ' N ' HG22 ' A' ' 42' ' ' THR . . . -65.25 -12.47 55.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.487 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 17.4 t -126.87 128.13 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 39' ' ' TRP . 1.0 OUTLIER -135.18 112.91 10.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.027 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -86.55 90.32 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.566 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -69.72 157.79 36.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 108.225 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 30.3 t-20 -115.34 84.26 11.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.95 44.79 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -142.23 6.33 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -51.99 -61.29 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 72.73 -45.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.508 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.8 m -36.27 155.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 t -151.16 139.94 20.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.779 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 7.7 p -121.96 148.45 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -110.22 145.67 36.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.414 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.589 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -71.18 169.03 15.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.657 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.0 p30 -131.71 120.19 22.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.51 -88.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.657 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.7 m-20 -38.2 -45.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.519 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.47 -1.09 6.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -77.6 136.85 38.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 109.958 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.912 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -75.01 159.17 32.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' A' ' 65' ' ' THR . 90.6 p -162.17 117.62 1.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.567 HG23 ' N ' ' A' ' 66' ' ' SER . 12.5 t -176.99 -151.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.621 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.4 m -125.19 136.41 53.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.963 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.866 ' HB2' HG21 ' A' ' 21' ' ' VAL . 7.3 mp -120.71 135.92 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.798 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -76.15 99.83 4.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.376 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.947 HG11 HD12 ' A' ' 13' ' ' LEU . 60.5 t -69.58 62.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.798 ' NE ' HG23 ' A' ' 68' ' ' THR . 6.8 mtm180 -46.64 131.07 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HB2' ' HA ' ' A' ' 15' ' ' ASP . 12.9 mtp180 -79.89 -53.88 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 84.2 p -134.74 159.43 41.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.479 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 6.1 p90 178.1 -171.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.27 96.9 6.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -95.85 -166.9 34.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 9.0 m-85 -130.98 132.21 44.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.629 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 3.2 mp -49.67 -46.84 50.27 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.629 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 3.4 t80 84.51 14.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -166.79 30.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.438 1.087 . . . . 0.0 109.321 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.07 -63.02 0.05 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.46 1.1 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER 176.46 172.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 110.39 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.539 ' N ' HG23 ' A' ' 81' ' ' THR . 0.6 OUTLIER -52.75 141.51 21.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 1.027 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -75.53 -79.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.041 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 142.43 161.73 8.91 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 85' ' ' THR . 1.7 m -63.34 72.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.761 . . . . 0.0 110.45 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.528 HG22 ' H ' ' A' ' 87' ' ' ASP . 8.8 p -112.4 171.15 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.528 ' H ' HG22 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -70.96 136.04 48.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.874 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -98.5 -36.75 9.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -51.4 -35.49 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 110.42 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.19 -22.5 62.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -109.68 20.92 17.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 93' ' ' CYS . . . 39.12 70.19 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.97 -176.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.264 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.567 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.7 pm0 -160.2 146.97 15.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.919 HG22 ' HB2' ' A' ' 36' ' ' GLN . 40.7 t -130.92 109.59 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -120.8 -165.07 12.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.824 HD13 ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -97.62 155.87 16.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.483 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 29.4 t -157.41 114.41 3.01 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.04 168.13 11.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.71 ' O ' ' HB2' ' A' ' 101' ' ' ALA . . . -89.3 32.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . 162.19 41.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.95 -55.4 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -172.61 -162.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 0.712 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -144.0 -81.37 0.05 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.07 32.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.73 -52.15 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 111.94 25.6 4.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 93.8 t -72.5 76.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.449 0.735 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.53 109.49 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.806 HG23 ' HA ' ' A' ' 10' ' ' SER . 4.9 mt -109.18 145.28 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.501 ' HB2' ' HA ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -89.17 90.57 8.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.703 ' CD2' HG12 ' A' ' 69' ' ' VAL . 45.0 m-85 -83.96 132.17 34.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.717 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 1' ' ' ALA . . . 86.84 162.63 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.407 1.067 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.944 ' O ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.99 163.75 34.74 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.803 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.944 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -179.17 160.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.538 ' O ' ' CA ' ' A' ' 107' ' ' GLY . . . -104.4 159.53 15.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.681 ' HA ' HG12 ' A' ' 108' ' ' VAL . 15.6 p -152.41 158.67 42.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.678 ' CG2' HG23 ' A' ' 19' ' ' VAL . 1.1 p -116.15 135.48 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.568 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.91 -59.74 0.6 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.953 ' CG ' HG21 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.97 -165.76 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.814 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.7 t 146.94 39.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.49 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 71.9 p -173.55 125.66 0.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.96 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 61.46 31.46 77.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.913 HD13 HG21 ' A' ' 17' ' ' THR . 4.7 mt -78.7 -141.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.74 163.85 21.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.462 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 7.8 p-10 -66.8 99.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.613 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 104.45 22.18 8.78 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.913 HG21 HD13 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -64.4 80.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 110.435 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 16' ' ' GLY . 21.0 t -69.88 114.52 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.953 HG21 ' CG ' ' A' ' 9' ' ' PRO . 2.7 m -139.52 -172.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 65' ' ' THR . 3.1 tttt -78.44 135.01 37.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.623 HG11 ' HG ' ' A' ' 67' ' ' LEU . 10.0 p -130.26 140.65 48.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.5 154.82 46.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.756 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 92.07 179.54 41.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 155.11 -149.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' C ' ' OH ' ' A' ' 32' ' ' TYR . . . -64.8 -0.78 5.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.125 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.4 tp 50.86 50.18 19.58 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.4 0.706 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.4 tp60 -69.53 -103.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 59' ' ' ALA . . . 176.96 78.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.3 55.99 14.28 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.41 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -136.61 160.31 39.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 110.371 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.97 149.85 4.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.499 ' HB3' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -151.07 82.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.72 117.68 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.036 HG21 HD21 ' A' ' 67' ' ' LEU . 31.2 t -65.88 151.02 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.203 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -143.27 138.48 8.25 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.869 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -125.82 120.96 31.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.254 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 10.2 m -138.4 173.83 11.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 108.326 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.838 ' HB2' ' CB ' ' A' ' 93' ' ' CYS . . . -140.43 107.62 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.576 ' HB3' HD12 ' A' ' 45' ' ' LEU . 12.0 p-90 -86.77 122.53 30.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 108.025 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.76 HG22 ' HB1' ' A' ' 91' ' ' ALA . 59.7 t -111.29 -27.56 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 43' ' ' GLY . 5.0 t0 179.37 61.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.523 HG22 ' N ' ' A' ' 43' ' ' GLY . 1.4 m 56.43 -85.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.465 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.523 ' N ' HG22 ' A' ' 42' ' ' THR . . . -64.09 -12.35 49.18 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.504 1.127 . . . . 0.0 111.061 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.84 ' HA ' HD23 ' A' ' 77' ' ' LEU . 11.5 t -105.71 43.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.373 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.576 HD12 ' HB3' ' A' ' 39' ' ' TRP . 4.5 tt -102.3 111.22 23.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.225 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 1.022 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -92.81 101.82 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -84.09 147.89 27.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.573 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 58.9 t30 -113.14 87.43 10.75 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.518 ' HG3' ' CE1' ' A' ' 76' ' ' PHE . 18.6 Cg_endo -74.89 32.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.46 1.768 . . . . 0.0 111.059 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.622 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -127.63 1.53 6.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -50.61 -51.01 52.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 13.6 m-85 69.34 -47.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 52' ' ' PHE . 3.9 m -26.96 142.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.369 1.043 . . . . 0.0 109.988 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.53 ' CA ' HG23 ' A' ' 34' ' ' VAL . 77.9 p -141.92 136.74 30.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.965 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.921 HG22 HG21 ' A' ' 65' ' ' THR . 3.7 t -141.19 165.53 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.392 1.058 . . . . 0.0 109.254 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.525 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 1.6 m -120.15 155.5 32.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.714 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -82.65 179.1 7.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.697 ' O ' ' N ' ' A' ' 60' ' ' ASN . 10.6 p30 -132.8 123.41 26.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.56 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 27.53 -86.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.697 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.3 m-20 -36.79 -47.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.714 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 127.09 1.59 6.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 20.7 m -88.84 142.89 27.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 0.715 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -70.68 173.68 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.55 ' O ' ' HB ' ' A' ' 65' ' ' THR . 45.2 p -179.77 106.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.921 HG21 HG22 ' A' ' 55' ' ' VAL . 7.1 t 177.91 -136.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.534 ' N ' HG23 ' A' ' 65' ' ' THR . 16.5 m -129.28 130.76 46.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.036 HD21 HG21 ' A' ' 34' ' ' VAL . 6.0 mt -125.13 151.46 45.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.773 HG23 ' NE ' ' A' ' 70' ' ' ARG . 8.7 t -88.06 102.52 14.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.976 HG11 HG21 ' A' ' 110' ' ' ILE . 21.2 t -69.41 64.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.773 ' NE ' HG23 ' A' ' 68' ' ' THR . 1.6 mtm180 -55.67 143.91 28.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.236 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.544 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 3.4 ttp180 -117.27 -74.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 t -67.29 113.08 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.63 ' CE1' ' SG ' ' A' ' 88' ' ' CYS . 2.5 p90 -157.54 175.78 13.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.443 ' HB3' ' N ' ' A' ' 85' ' ' THR . 0.3 OUTLIER -129.91 93.65 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -94.26 178.49 37.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 47' ' ' CYS . 49.6 p90 -110.74 131.65 54.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.84 HD23 ' HA ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -55.33 -48.53 74.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.608 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.1 t80 82.77 15.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.6 26.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.15 -61.54 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.428 1.08 . . . . 0.0 111.062 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.562 HG23 ' N ' ' A' ' 82' ' ' ARG . 0.5 OUTLIER 178.6 175.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 0.802 . . . . 0.0 110.454 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.562 ' N ' HG23 ' A' ' 81' ' ' THR . 0.7 OUTLIER -71.86 122.79 21.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 0.0 110.269 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 1.022 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 6.6 m95 -51.36 -86.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.672 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 106.8 153.01 19.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.76 HG22 ' O ' ' A' ' 85' ' ' THR . 1.0 OUTLIER 9.56 72.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 0.725 . . . . 0.0 110.389 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 73' ' ' PHE . 4.8 p -121.11 131.5 72.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -81.75 113.56 19.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.63 ' SG ' ' CE1' ' A' ' 73' ' ' PHE . 1.5 m -45.13 -46.21 11.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.284 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 t -52.2 -33.44 40.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 87' ' ' ASP . 97.1 m -68.5 -25.52 65.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.76 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -128.45 24.37 5.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.077 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 27.28 56.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.838 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . 1.5 p -51.41 180.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 108.322 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.468 ' N ' ' OE1' ' A' ' 94' ' ' GLN . 5.3 pm0 -137.47 158.49 44.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.869 HG23 ' CG ' ' A' ' 36' ' ' GLN . 14.9 p -133.29 111.06 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.499 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -132.71 -160.58 9.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.414 1.071 . . . . 0.0 111.009 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.701 HD11 HG22 ' A' ' 34' ' ' VAL . 1.7 mp -114.53 158.69 21.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.766 . . . . 0.0 109.281 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.28 141.16 23.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.99 175.96 9.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.25 -14.91 12.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.705 ' HB3' ' OD1' ' A' ' 103' ' ' ASN . . . -105.34 -10.62 16.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.21 34.89 60.87 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.705 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 1.0 OUTLIER -61.14 159.83 11.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.424 0.72 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.57 166.85 0.03 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.478 ' HG2' ' CG2' ' A' ' 4' ' ' THR . 18.4 Cg_endo -74.95 -161.1 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -69.72 -124.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.538 ' CA ' ' O ' ' A' ' 5' ' ' ALA . . . -128.84 -83.63 0.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.681 HG12 ' HA ' ' A' ' 6' ' ' THR . 7.5 p -153.57 150.37 12.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.488 0.758 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.04 110.89 15.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.976 HG21 HG11 ' A' ' 69' ' ' VAL . 3.2 mt -97.23 138.38 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.49 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -93.0 87.31 5.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.894 ' CE2' HG12 ' A' ' 69' ' ' VAL . 14.4 m-85 -68.78 120.9 15.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.425 ' H ' ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -149.33 64.53 7.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.779 ' O ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.02 103.41 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.779 HG23 ' O ' ' A' ' 3' ' ' PRO . 1.5 p -161.98 135.48 6.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 110.408 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.501 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -99.9 166.13 11.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.963 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.5 p -153.01 155.73 37.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.388 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.054 HG12 ' HD2' ' A' ' 9' ' ' PRO . 6.7 t -126.91 141.13 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.586 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.13 -60.82 0.53 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.399 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.054 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.09 -163.88 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.564 ' C ' HG23 ' A' ' 110' ' ' ILE . 12.8 p -148.12 -26.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.037 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.645 ' HA ' ' O ' ' A' ' 111' ' ' SER . 81.2 p -169.79 167.76 9.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 75.77 23.46 72.4 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.517 1.135 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.018 HD12 HG11 ' A' ' 69' ' ' VAL . 4.9 mt -71.56 -143.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.317 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.452 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.7 t -161.4 161.14 30.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.501 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 37.0 t0 -57.56 90.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.369 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 97.29 40.23 3.77 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.445 1.091 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.605 ' O ' HG22 ' A' ' 17' ' ' THR . 1.1 m -71.14 82.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.363 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 6.0 t -71.51 94.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.451 HG21 ' CG ' ' A' ' 9' ' ' PRO . 21.9 m -127.63 169.9 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -56.09 141.77 39.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.984 HG22 HG13 ' A' ' 7' ' ' VAL . 67.8 t -144.44 140.24 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.78 155.8 47.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.773 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 106.33 172.05 23.12 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 156.58 -156.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.336 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.49 -3.13 6.67 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.508 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 4.0 tp 51.91 68.32 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.756 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.742 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -94.55 -85.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.24 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 158.14 99.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 44.63 38.04 5.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.675 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 7.1 m -109.27 155.3 21.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 110.458 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.8 147.78 48.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.743 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 6.3 m-85 -146.4 78.21 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' SER . 2.4 t70 -55.65 119.96 6.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.649 HG21 ' HB3' ' A' ' 53' ' ' SER . 46.2 t -55.56 157.48 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.487 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -122.65 -72.69 0.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 111.057 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.1 tp60 69.91 106.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 0.783 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.592 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 49.0 m -127.53 179.09 5.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 108.328 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.745 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . -124.75 77.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -65.94 103.89 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.052 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.077 HG22 ' HB1' ' A' ' 91' ' ' ALA . 4.0 t -109.0 -129.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.474 ' H ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -55.1 -174.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.5 m -72.52 90.94 1.36 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.5 -7.58 36.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.568 1.167 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.968 HG13 ' CZ2' ' A' ' 83' ' ' TRP . 24.6 t -89.55 54.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.786 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.692 ' O ' HD23 ' A' ' 45' ' ' LEU . 3.6 tt -98.76 100.67 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.745 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . . . -85.11 92.25 8.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -67.82 160.64 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 108.323 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 63.6 t30 -114.16 83.12 7.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.473 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.1 30.45 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.658 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . . . -135.72 8.24 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.527 ' C ' ' H ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -55.68 -56.39 20.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.658 ' CE1' ' HA ' ' A' ' 50' ' ' ALA . 11.2 m-85 70.18 -40.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.649 ' HB3' HG21 ' A' ' 34' ' ' VAL . 1.5 m -38.62 152.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.051 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.7 p -148.98 141.27 24.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 110.054 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.685 HG23 ' HB ' ' A' ' 65' ' ' THR . 10.6 p -132.26 172.86 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.576 ' H ' HG22 ' A' ' 55' ' ' VAL . 2.0 m -122.31 150.08 42.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.427 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.743 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -81.86 164.26 21.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.637 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.8 p30 -123.71 121.13 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.75 -89.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.637 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.5 m-20 -36.57 -44.99 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.557 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 123.18 8.71 6.41 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -88.01 132.54 34.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.978 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.773 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -57.69 165.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 65' ' ' THR . 4.7 p -169.12 99.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.17 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.685 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 179.33 171.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 110.336 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 60.2 p -81.66 112.68 19.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.097 . . . . 0.0 110.049 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.735 HD11 HD11 ' A' ' 97' ' ' LEU . 6.2 mt -107.06 148.91 28.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.824 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -84.74 106.96 16.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.018 HG11 HD12 ' A' ' 13' ' ' LEU . 5.2 t -81.29 64.57 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.824 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.1 OUTLIER -51.84 144.62 11.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.589 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 5.7 ttp180 -118.81 -76.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -77.12 97.13 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.452 ' O ' HG12 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -150.89 -177.06 5.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 111.014 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.477 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 3.1 pm0 -110.48 117.63 34.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.687 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -107.73 162.83 13.11 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 13.3 m-85 -115.55 133.09 56.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 0.802 . . . . 0.0 111.076 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.666 HD12 ' HB ' ' A' ' 81' ' ' THR . 13.4 mt -42.45 -60.43 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER 154.05 -24.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -94.77 -73.33 0.58 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -169.36 29.88 0.15 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.666 ' HB ' HD12 ' A' ' 77' ' ' LEU . 30.0 m -131.56 99.55 4.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.412 0.713 . . . . 0.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.507 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -91.79 159.0 16.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.968 ' CZ2' HG13 ' A' ' 44' ' ' VAL . 90.4 m95 -88.77 -60.21 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 108.047 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.642 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 95.97 154.34 30.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.782 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 13.43 75.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 110.377 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 73' ' ' PHE . 8.7 p -123.07 143.38 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.423 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -82.23 116.16 21.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.644 ' HB3' ' CE1' ' A' ' 112' ' ' PHE . 2.5 m -63.83 -43.97 94.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.0 t -51.72 -20.87 2.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.188 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 17.9 m -87.59 -16.51 34.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.454 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.077 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -128.21 16.34 6.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 35.35 66.11 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 55.5 m -53.21 176.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 108.266 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.446 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 16.9 pm0 -141.49 154.9 45.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.64 ' O ' HG13 ' A' ' 95' ' ' VAL . 8.1 p -120.99 101.16 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.19 165.37 12.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.735 HD11 HD11 ' A' ' 67' ' ' LEU . 1.7 mm? -104.78 142.64 34.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 0.773 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -119.72 143.25 47.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.99 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.05 -179.63 3.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.02 11.89 4.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.2 -11.53 11.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 71.99 46.23 37.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.461 ' O ' ' O ' ' A' ' 102' ' ' GLY . 2.4 m-20 -51.45 -171.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 0.721 . . . . 0.0 109.378 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.96 147.84 50.29 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -160.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 59.93 -173.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.214 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 5' ' ' ALA . . . 176.61 -53.37 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' A' ' 6' ' ' THR . 1.5 p -179.96 120.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.787 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.16 112.72 23.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.951 HG21 HD11 ' A' ' 13' ' ' LEU . 5.0 mt -114.14 153.47 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.645 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -98.47 123.27 42.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.963 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.955 ' CE2' HG12 ' A' ' 69' ' ' VAL . 5.9 m-85 -90.64 126.84 36.09 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.493 ' H ' ' N ' ' A' ' 13' ' ' LEU . 1.2 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.911 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . -124.22 -177.74 0.58 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.911 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 18.4 Cg_endo -74.98 116.26 4.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.752 HG22 ' C ' ' A' ' 3' ' ' PRO . 0.5 OUTLIER 173.6 163.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.403 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HB2' ' HB3' ' A' ' 97' ' ' LEU . . . -103.06 161.73 13.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.826 ' O ' HG13 ' A' ' 21' ' ' VAL . 19.2 p -150.4 158.56 44.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.961 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -95.05 131.5 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.512 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.39 -57.11 1.18 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.961 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.07 -160.3 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.723 ' HA ' HD13 ' A' ' 110' ' ' ILE . 89.4 p -155.3 26.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.986 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.613 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -165.58 56.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.965 ' CA ' HG21 ' A' ' 17' ' ' THR . . . -43.19 -25.08 0.37 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.547 1.154 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 11' ' ' SER . 1.1 mt 41.45 -88.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.617 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -33.86 118.6 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.144 . . . . 0.0 110.043 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.507 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 5.6 p-10 -60.56 110.04 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 109.367 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.2 30.07 15.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.965 HG21 ' CA ' ' A' ' 12' ' ' GLY . 6.2 t -70.38 94.74 0.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 110.429 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.527 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.7 t -77.29 94.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.622 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 16.7 m -111.32 179.28 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -69.49 140.4 53.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.343 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.83 HG11 HD22 ' A' ' 67' ' ' LEU . 75.6 t -142.31 140.49 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.27 155.69 45.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.936 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 107.83 176.12 22.3 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.94 -161.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.94 -2.26 4.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.518 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.1 tp 49.61 62.14 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.511 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 4.5 tp60 -92.57 -102.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.427 ' N ' ' CG ' ' A' ' 27' ' ' GLN . . . -176.0 95.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.413 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 50.54 19.79 3.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.482 ' CB ' ' HG2' ' A' ' 27' ' ' GLN . 1.0 OUTLIER -81.34 158.48 24.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 110.393 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.69 148.43 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.76 ' CD1' HD23 ' A' ' 97' ' ' LEU . 2.1 m-85 -143.83 80.23 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.088 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 98' ' ' SER . 0.4 OUTLIER -51.15 115.64 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.578 HG22 HD21 ' A' ' 67' ' ' LEU . 45.7 t -58.7 146.55 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -128.56 -166.45 11.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.579 1.174 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 170.04 113.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 4.7 m -128.26 170.79 12.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 108.289 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.691 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . . . -139.73 125.89 19.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.43 125.43 40.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 108.018 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.477 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 39.9 t -109.44 -28.28 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER 179.33 175.16 0.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.1 m -56.68 89.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.54 -11.8 39.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 2.3 t -95.1 42.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.885 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -99.18 104.77 16.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.398 1.061 . . . . 0.0 109.363 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.719 ' CB ' ' CD1' ' A' ' 83' ' ' TRP . . . -94.77 116.17 28.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.444 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 0.5 OUTLIER -84.83 163.11 19.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 108.276 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 33.3 t30 -113.73 88.26 13.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.595 1.184 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.1 Cg_endo -74.97 38.17 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -134.1 3.76 3.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.6 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -43.33 -52.08 6.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 16.8 m-85 62.8 -57.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.6 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.3 m -30.63 146.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.951 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.0 p -141.98 136.81 30.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.509 HG22 ' N ' ' A' ' 56' ' ' THR . 2.6 p -126.09 165.92 23.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.509 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.1 m -123.38 151.2 42.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.457 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -80.91 170.2 16.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.9 p30 -129.84 120.09 24.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.33 -89.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.621 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.8 m-20 -36.24 -46.02 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.518 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 127.11 2.08 6.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.96 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.469 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 34.1 t -79.74 136.82 36.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.756 . . . . 0.0 110.034 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.936 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -76.26 154.23 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' A' ' 65' ' ' THR . 39.2 m -155.89 107.38 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.485 ' CG2' ' CD1' ' A' ' 67' ' ' LEU . 1.6 t -178.18 178.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.4 m -93.14 122.8 35.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.83 HD22 HG11 ' A' ' 21' ' ' VAL . 6.8 mp -114.57 147.05 40.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.363 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.91 HG23 ' NE ' ' A' ' 70' ' ' ARG . 4.5 t -89.19 116.46 27.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.145 HG12 ' CE2' ' A' ' 112' ' ' PHE . 1.5 t -87.15 60.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.91 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.3 OUTLIER -38.72 133.34 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.243 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.507 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 1.6 ttp180 -89.14 -58.87 2.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 85.0 p -120.81 141.64 50.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.055 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.509 ' CD1' ' OD1' ' A' ' 48' ' ' ASN . 12.4 p90 -175.75 -173.81 0.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.425 ' HB2' ' N ' ' A' ' 85' ' ' THR . 0.7 OUTLIER -109.49 142.22 40.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 83' ' ' TRP . . . -147.74 -160.83 9.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.64 ' CZ ' ' CB ' ' A' ' 82' ' ' ARG . 1.4 m-85 -145.75 141.21 27.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 12.4 mt -63.94 -51.47 64.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.0 t80 80.47 14.02 0.81 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -171.12 32.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.06 -61.99 0.04 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -174.67 173.59 2.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.417 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.64 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -73.22 147.95 44.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.719 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -94.13 -155.56 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 107.98 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -168.57 170.95 42.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.469 ' HA ' ' C ' ' A' ' 73' ' ' PHE . 22.8 m -62.79 75.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.377 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 84' ' ' GLY . 6.0 p -110.02 166.76 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.232 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.95 118.99 20.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -77.31 -33.2 55.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 108.283 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.752 HG21 ' C ' ' A' ' 113' ' ' ASN . 1.2 t -50.37 -29.94 11.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -25.32 64.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -119.27 14.97 13.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 36.84 72.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.691 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 19.1 p -55.77 -169.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 108.284 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.486 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 0.7 OUTLIER -148.38 154.83 40.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.906 ' O ' HG12 ' A' ' 108' ' ' VAL . 8.5 p -131.76 128.9 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -148.5 -177.62 22.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.57 1.169 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.815 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -79.84 146.76 32.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 0.721 . . . . 0.0 109.318 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.815 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -137.7 122.12 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -93.64 166.5 12.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.45 36.8 0.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -167.5 -37.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.593 ' O ' ' ND2' ' A' ' 103' ' ' ASN . . . -80.4 -61.95 2.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.593 ' ND2' ' O ' ' A' ' 102' ' ' GLY . 0.1 OUTLIER 36.23 -161.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 0.781 . . . . 0.0 109.351 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.589 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 96.88 170.59 33.98 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.34 4.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -166.99 34.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.25 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.404 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -80.96 176.91 54.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.906 HG12 ' O ' ' A' ' 95' ' ' VAL . 7.3 p -105.39 121.79 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.6 113.0 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 1.047 HG21 HG11 ' A' ' 69' ' ' VAL . 0.8 OUTLIER -116.89 149.0 19.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.453 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 6.3 m -89.1 92.8 9.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.145 ' CE2' HG12 ' A' ' 69' ' ' VAL . 37.7 m-85 -87.09 165.66 15.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.752 ' C ' HG21 ' A' ' 89' ' ' THR . 12.0 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.626 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -146.11 53.66 1.91 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.891 ' O ' HG23 ' A' ' 4' ' ' THR . 18.1 Cg_endo -75.01 75.39 3.71 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 110.951 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.891 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -172.74 145.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.412 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.472 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -101.31 161.98 13.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.472 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 1.7 p -151.94 161.03 43.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.903 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.5 t -117.7 139.9 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.368 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.513 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -37.2 -57.27 1.38 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.452 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.903 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.97 -165.49 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.44 18.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.509 ' CA ' ' O ' ' A' ' 111' ' ' SER . 59.9 p -152.5 114.11 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.036 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.657 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -78.19 6.31 50.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.657 ' C ' ' O ' ' A' ' 12' ' ' GLY . 12.5 mt -15.75 -58.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.6 OUTLIER -72.61 101.35 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.417 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 11.9 p-10 -49.55 101.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.611 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 100.49 34.38 4.76 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.474 ' O ' HG22 ' A' ' 17' ' ' THR . 1.2 m -65.2 86.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 16' ' ' GLY . 8.5 t -77.59 96.78 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.813 HG21 ' CG ' ' A' ' 9' ' ' PRO . 33.4 m -125.41 -176.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 65' ' ' THR . 73.1 mttt -72.03 148.89 45.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.358 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.883 HG21 ' HB2' ' A' ' 67' ' ' LEU . 3.4 t -139.1 138.71 41.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -135.23 149.61 49.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.801 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 103.81 -176.57 24.0 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 149.32 -157.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 0.747 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.35 -1.45 4.37 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.5 OUTLIER 44.46 66.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.588 0.816 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.543 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.1 tp60 -87.71 -105.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 172.57 77.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.52 52.01 6.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.42 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -123.56 164.21 19.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 110.401 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.42 ' N ' ' CG2' ' A' ' 30' ' ' THR . . . -78.48 149.3 33.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.925 ' O ' HD12 ' A' ' 97' ' ' LEU . 2.9 m-85 -140.08 75.66 1.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.479 ' HA ' ' CB ' ' A' ' 54' ' ' SER . 0.3 OUTLIER -62.7 115.3 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.234 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.782 HG21 ' CB ' ' A' ' 53' ' ' SER . 73.5 t -39.47 150.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.597 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -130.51 -86.19 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.607 ' CD ' HG22 ' A' ' 95' ' ' VAL . 0.5 OUTLIER 75.28 116.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.571 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 48.3 m -128.01 177.49 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.48 ' HB2' ' HZ ' ' A' ' 73' ' ' PHE . . . -122.37 137.83 54.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.224 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.865 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -102.2 110.8 22.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.604 HG12 ' N ' ' A' ' 41' ' ' ASP . 58.0 t -90.23 -114.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.604 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.2 t0 -92.37 36.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 69.72 -58.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.397 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.45 ' N ' HG22 ' A' ' 42' ' ' THR . . . -66.53 -9.8 51.86 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.071 HG13 HD11 ' A' ' 77' ' ' LEU . 22.1 t -127.62 123.91 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tt -126.59 121.46 32.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HB1' ' HA3' ' A' ' 75' ' ' GLY . . . -104.14 92.74 4.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.571 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -66.26 165.18 14.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 108.31 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.613 ' ND2' ' CG ' ' A' ' 73' ' ' PHE . 11.0 t-20 -114.64 85.86 11.93 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.97 39.57 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -134.82 2.85 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.435 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -41.96 -55.15 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 68.07 -49.61 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.782 ' CB ' HG21 ' A' ' 34' ' ' VAL . 30.3 m -50.88 158.59 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.986 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 96.7 p -166.33 138.87 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.877 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.5 p -137.88 -155.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.71 ' N ' HG13 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -143.21 168.93 18.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.496 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.495 ' N ' ' CG2' ' A' ' 56' ' ' THR . . . -72.35 -170.43 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.688 ' O ' ' N ' ' A' ' 60' ' ' ASN . 57.1 p30 -145.85 134.58 22.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.685 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -12.3 80.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.688 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.4 t30 151.29 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.553 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 122.22 -11.47 9.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.126 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -76.48 139.2 40.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.041 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -84.1 158.23 21.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.532 ' O ' ' HB ' ' A' ' 65' ' ' THR . 4.6 m -159.21 126.71 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.877 ' HB ' HG21 ' A' ' 55' ' ' VAL . 1.0 OUTLIER 171.35 -115.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.447 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.583 ' N ' ' OG1' ' A' ' 65' ' ' THR . 74.2 m -161.81 137.85 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 110.0 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.883 ' HB2' HG21 ' A' ' 21' ' ' VAL . 7.0 mp -122.74 163.02 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.631 HG23 ' NE ' ' A' ' 70' ' ' ARG . 2.2 t -100.22 97.73 8.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.09 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.7 t -72.13 65.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.631 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -64.24 124.94 23.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.547 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 14.5 ttp180 -79.2 -73.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.185 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.5 t -90.36 118.48 29.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.04 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.613 ' CG ' ' ND2' ' A' ' 48' ' ' ASN . 22.1 p90 -156.01 -177.87 6.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.6 OUTLIER -89.66 104.19 16.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.7 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -84.12 149.93 25.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.501 ' CG ' ' HG3' ' A' ' 82' ' ' ARG . 20.1 m-85 -129.4 126.64 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.071 HD11 HG13 ' A' ' 44' ' ' VAL . 1.6 mm? -55.06 -44.95 75.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.581 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.6 t80 81.46 7.05 1.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 111.051 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -120.5 -40.51 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.46 39.26 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.778 HG22 HD23 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -165.32 168.78 16.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.37 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.506 ' N ' ' CG2' ' A' ' 81' ' ' THR . 5.0 ttt180 -157.21 123.45 4.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.165 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.643 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 8.9 m95 -68.17 -74.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.594 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 87.84 145.02 9.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.758 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 20.09 80.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 110.339 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -144.18 144.64 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' A' ' 90' ' ' THR . 2.3 m-20 -75.77 109.19 9.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -68.15 -30.22 69.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 108.271 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.473 HG21 ' HD2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -50.69 -22.72 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.429 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -75.44 -22.59 57.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.865 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -127.69 14.45 6.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 39.12 90.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.652 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 1.7 p -69.65 -173.95 0.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 108.353 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 19.2 pm0 -142.38 142.98 32.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.231 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 108' ' ' VAL . 83.8 t -107.46 133.93 50.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -159.46 168.03 35.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.583 1.177 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 32' ' ' TYR . 2.7 mm? -88.04 144.83 26.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 0.734 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -119.95 113.15 20.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.423 ' OD1' ' CB ' ' A' ' 103' ' ' ASN . 0.8 OUTLIER -54.15 178.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.63 -11.73 27.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -113.08 -7.77 13.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.76 40.04 38.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.423 ' CB ' ' OD1' ' A' ' 99' ' ' ASP . 1.3 m120 -96.0 -170.6 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.465 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 47.03 60.72 4.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.465 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.5 Cg_endo -74.87 -164.89 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.467 1.772 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.37 60.82 0.16 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 110.27 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -51.88 -100.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.665 HG11 HG23 ' A' ' 7' ' ' VAL . 12.9 p -159.71 123.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 0.736 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.44 109.77 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.913 HG21 HG11 ' A' ' 69' ' ' VAL . 11.1 mt -109.5 144.54 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.509 ' O ' ' CA ' ' A' ' 11' ' ' SER . 33.5 m -86.81 97.93 10.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.09 ' CE2' HG12 ' A' ' 69' ' ' VAL . 49.5 m-85 -89.02 19.73 4.01 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.576 1.172 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.217 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.25 71.89 71.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.356 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.916 ' O ' HG23 ' A' ' 4' ' ' THR . 18.6 Cg_endo -74.88 118.67 5.37 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.916 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -179.17 147.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.384 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.716 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . -103.97 152.9 21.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.921 ' O ' HG13 ' A' ' 21' ' ' VAL . 2.5 p -153.08 162.61 41.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.04 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.6 t -110.99 133.79 55.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.609 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.76 -61.86 0.6 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.04 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.99 -90.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.435 1.756 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.62 ' HA ' HG23 ' A' ' 110' ' ' ILE . 1.4 p 89.64 13.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.6 p -161.76 136.26 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.0 36.2 60.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.849 HD12 HG21 ' A' ' 110' ' ' ILE . 12.9 mt -94.34 -147.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.488 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -158.87 167.51 29.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.998 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.435 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 29.1 t0 -62.57 96.54 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.471 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 97.16 33.23 6.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.723 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.6 m -76.48 88.26 3.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.655 HG12 ' HB2' ' A' ' 66' ' ' SER . 3.9 t -71.34 91.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.625 HG22 ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -111.08 166.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -61.57 133.42 55.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.921 HG13 ' O ' ' A' ' 6' ' ' THR . 84.4 t -137.52 141.74 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.87 156.34 45.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.823 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 108.85 178.41 21.59 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 111.048 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 149.39 -162.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.02 -7.2 2.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.603 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.6 OUTLIER 52.1 68.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.751 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.4 mp0 -88.35 -95.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.751 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 156.51 73.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.81 67.05 1.61 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.58 1.175 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.4 HG22 ' CE2' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -151.92 156.51 40.23 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.465 0.744 . . . . 0.0 110.324 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.92 154.79 38.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.748 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 9.9 m-85 -148.94 80.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -50.77 126.41 15.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.826 HG21 HD22 ' A' ' 67' ' ' LEU . 50.8 t -71.14 156.09 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -131.62 -168.31 12.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.3 111.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.294 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 6.8 m -118.07 179.33 4.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.353 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.688 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -135.05 160.93 36.77 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.489 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -99.29 125.19 44.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 107.998 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.853 HG11 ' CD2' ' A' ' 83' ' ' TRP . 2.4 t -113.46 -134.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.461 ' H ' HG12 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -52.33 -175.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.4 m -76.22 89.11 3.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.417 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.25 -6.06 28.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.814 HG11 ' CH2' ' A' ' 83' ' ' TRP . 43.4 t -91.01 127.94 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.937 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -123.47 137.29 54.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.654 ' HB2' ' NE1' ' A' ' 83' ' ' TRP . . . -120.05 100.09 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.504 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.3 m -79.05 153.18 30.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.595 1.184 . . . . 0.0 108.323 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 50' ' ' ALA . 63.7 t30 -110.74 93.8 17.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.15 36.17 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -131.29 2.33 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -43.09 -51.08 6.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.475 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 70.21 -54.1 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 111.07 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.488 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 5.5 m -32.89 148.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.7 p -151.86 141.99 22.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 110.001 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.66 ' CG1' HD11 ' A' ' 97' ' ' LEU . 2.1 p -136.72 168.76 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.551 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.2 m -122.4 148.63 44.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.415 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.748 ' HB2' ' HE2' ' A' ' 32' ' ' TYR . . . -60.89 175.06 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.696 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.6 p30 -134.67 135.6 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.696 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -8.42 80.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.646 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.5 t30 149.41 -39.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.669 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 121.7 -2.0 11.07 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.592 1.182 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.522 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -84.23 125.35 32.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 110.059 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -63.61 161.64 14.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 65' ' ' THR . 99.8 p -163.65 109.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.529 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 177.12 170.86 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.655 ' HB2' HG12 ' A' ' 18' ' ' VAL . 87.2 p -84.46 115.92 22.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.826 HD22 HG21 ' A' ' 34' ' ' VAL . 9.2 mt -104.86 137.58 42.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.381 1.05 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.865 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -76.73 107.66 9.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.018 HG11 HG21 ' A' ' 110' ' ' ILE . 10.0 t -77.59 61.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.865 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.5 OUTLIER -47.02 142.14 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.594 ' HB2' ' CG ' ' A' ' 112' ' ' PHE . 8.2 ttm180 -119.54 -79.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 20.7 p -71.64 118.15 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.656 ' CG ' ' N ' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -178.85 -165.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.656 ' N ' ' CG ' ' A' ' 73' ' ' PHE . 11.3 pt-20 -128.84 120.11 25.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.498 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -99.36 146.3 17.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.128 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.501 ' CE2' ' HD3' ' A' ' 82' ' ' ARG . 10.1 m-85 -111.13 136.37 50.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.76 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.937 HD23 ' O ' ' A' ' 45' ' ' LEU . 15.2 mt -47.49 -66.83 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.231 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.486 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER 163.08 -23.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 111.033 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -90.33 -67.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.85 32.32 0.15 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.669 ' HB ' HD12 ' A' ' 77' ' ' LEU . 51.6 m -125.04 161.76 26.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HD3' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -159.93 174.79 13.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.853 ' CD2' HG11 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -154.08 -85.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 108.007 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 83' ' ' TRP . . . 26.47 -96.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.741 ' O ' HG23 ' A' ' 85' ' ' THR . 1.2 t 35.65 36.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -167.58 -175.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.558 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -74.13 117.41 15.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.611 ' O ' ' N ' ' A' ' 92' ' ' ALA . 1.8 m -57.95 -33.64 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 108.291 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.475 HG22 ' CB ' ' A' ' 87' ' ' ASP . 9.5 t -46.6 -22.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -79.75 -22.51 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -118.73 -6.67 10.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.611 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 58.58 64.83 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.688 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 6.0 m -49.48 176.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 108.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.655 ' NE2' HD11 ' A' ' 45' ' ' LEU . 13.5 pm0 -140.04 147.41 40.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.668 ' O ' HG12 ' A' ' 108' ' ' VAL . 7.6 p -125.5 112.43 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -121.03 -179.21 16.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.366 1.041 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.716 HD23 ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -100.15 152.2 20.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -132.69 116.34 16.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -113.57 -178.29 3.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.241 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.641 ' O ' ' HB2' ' A' ' 101' ' ' ALA . . . -89.84 35.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.228 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . 166.81 47.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -173.61 -34.71 0.03 OUTLIER Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 0.4 OUTLIER -38.09 157.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 0.794 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 143.81 -173.99 24.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.96 3.68 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.55 1.816 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.24 36.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.82 174.88 48.14 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.568 1.168 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 95' ' ' VAL . 8.2 p -101.99 116.65 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 109.194 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.37 108.69 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 1.018 HG21 HG11 ' A' ' 69' ' ' VAL . 84.1 mt -109.32 148.41 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.7 m -106.96 106.21 16.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.906 ' CE2' HG12 ' A' ' 69' ' ' VAL . 1.6 m-85 -80.72 121.4 25.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' LEU . 35.8 t30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . -114.58 167.4 9.74 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.744 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.0 -173.68 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.744 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER 67.4 143.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 110.387 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.478 ' HB1' HD22 ' A' ' 97' ' ' LEU . . . -73.61 143.65 46.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.94 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.8 p -149.48 151.95 34.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.966 HG13 HG22 ' A' ' 21' ' ' VAL . 3.2 t -123.41 147.3 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.515 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -41.77 -57.57 3.91 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.963 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.89 -151.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.78 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.4 ' H ' ' HB2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER 171.51 -11.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.047 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.552 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 95.4 p -179.18 153.91 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.75 42.86 99.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.018 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.852 HD21 HG23 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -105.07 -169.87 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 0.738 . . . . 0.0 109.283 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.95 160.04 20.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.585 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 6.0 p-10 -62.04 119.8 9.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.678 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 76.69 31.78 52.7 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.157 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.664 ' O ' HG23 ' A' ' 69' ' ' VAL . 1.2 m -57.3 85.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 16' ' ' GLY . 3.5 t -75.09 88.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.85 HG21 ' HD3' ' A' ' 9' ' ' PRO . 34.4 m -119.26 -179.84 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 145.56 50.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.966 HG22 HG13 ' A' ' 7' ' ' VAL . 54.3 t -142.4 140.51 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.52 161.19 38.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.864 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 95.01 -175.73 33.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 111.056 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.774 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 147.09 -157.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 0.801 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.07 -3.29 4.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.527 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 46.71 60.1 3.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.219 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.636 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 10.8 tt0 -79.95 -97.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.231 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 166.72 100.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.55 33.47 12.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.786 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 53.4 m -108.94 159.68 16.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 0.73 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.59 148.35 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 3.4 m-85 -146.21 76.82 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.07 129.66 38.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.598 HG11 ' HG ' ' A' ' 67' ' ' LEU . 33.6 t -67.21 149.57 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.642 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -135.84 177.48 19.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.619 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -172.56 107.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.37 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.534 ' O ' ' HB3' ' A' ' 93' ' ' CYS . 5.5 m -118.49 169.53 9.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.252 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.554 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -131.71 147.63 52.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.608 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -94.57 121.44 36.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.014 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.636 HG21 ' NE1' ' A' ' 83' ' ' TRP . 89.2 t -92.7 -111.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.633 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.9 t0 -90.36 41.4 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.542 ' HA ' ' CD1' ' A' ' 39' ' ' TRP . 0.9 OUTLIER 67.08 -64.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -69.39 -8.18 58.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.627 HG13 HD11 ' A' ' 77' ' ' LEU . 40.9 t -121.97 129.82 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.443 0.731 . . . . 0.0 109.347 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.44 132.8 47.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.553 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -113.21 102.22 10.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -80.05 158.0 26.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 108.316 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 31.7 t30 -112.3 91.45 16.41 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -75.0 38.38 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.562 1.822 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.96 3.19 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.522 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -41.13 -49.35 3.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.31 -58.23 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.583 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 1.9 m -34.49 150.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 t -149.33 144.66 26.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.608 HG23 ' HB ' ' A' ' 65' ' ' THR . 7.7 p -139.05 169.87 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.563 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.4 m -121.47 160.32 24.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.366 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.942 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -89.33 148.2 23.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.2 p30 -112.38 119.62 38.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 37.19 -92.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.0 m-20 -43.63 -43.31 5.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.942 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 125.42 6.38 6.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.506 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.5 m -73.28 128.31 35.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.948 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.864 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -72.1 156.92 38.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.437 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 78.2 p -155.01 107.21 2.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.079 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.608 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.79 172.68 1.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.373 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.55 ' O ' HD12 ' A' ' 67' ' ' LEU . 15.7 m -90.38 132.23 35.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.957 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.86 HD22 HG11 ' A' ' 21' ' ' VAL . 6.9 mp -119.68 143.34 47.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.647 ' HB ' HG22 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -92.03 97.7 11.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.415 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.169 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.3 t -67.69 67.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.56 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -54.79 119.1 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 110.33 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.585 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 1.2 ttt180 -80.69 -77.28 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.2 p -79.86 99.07 7.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -143.24 154.92 44.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.415 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.9 OUTLIER -79.73 121.38 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.15 151.08 17.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.641 ' CD1' ' O ' ' A' ' 81' ' ' THR . 29.3 t80 -132.9 140.64 47.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.634 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -43.07 -62.65 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.8 OUTLIER 153.11 -27.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 t70 174.07 56.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.8 -63.09 0.03 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.641 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 1.9 m -137.66 170.07 16.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.433 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.482 ' N ' ' CG2' ' A' ' 81' ' ' THR . 6.1 ttp180 -137.99 149.66 46.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.636 ' NE1' HG21 ' A' ' 40' ' ' VAL . 39.6 m95 -100.27 -69.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.737 ' O ' HG23 ' A' ' 86' ' ' VAL . . . 92.72 165.0 38.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 18.07 78.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.735 . . . . 0.0 110.426 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 84' ' ' GLY . 54.0 t -114.92 127.01 72.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.424 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -79.97 106.66 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.359 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.731 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . 1.7 m -53.25 -23.16 8.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 108.228 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.531 HG23 ' CG ' ' A' ' 71' ' ' ARG . 16.3 p -77.72 5.86 8.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.1 m -119.69 -15.23 8.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -141.3 13.26 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 27.97 72.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 4.1 m -52.15 -177.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.297 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.472 ' CG ' ' HA3' ' A' ' 107' ' ' GLY . 14.6 pm0 -140.48 149.75 42.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.88 HG12 HD12 ' A' ' 110' ' ' ILE . 10.9 p -123.88 117.02 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -131.48 167.59 22.52 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.478 HD22 ' HB1' ' A' ' 5' ' ' ALA . 2.0 mm? -88.86 143.72 26.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 0.748 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.408 ' OG ' ' HB3' ' A' ' 103' ' ' ASN . 0.2 OUTLIER -122.07 130.42 53.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -117.92 -177.0 3.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.38 21.14 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.93 51.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.365 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -174.16 -35.37 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 99' ' ' ASP . 0.6 OUTLIER -39.52 159.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 138.83 -161.67 25.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.469 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.05 111.33 3.3 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.427 1.751 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.3 OUTLIER 169.45 42.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.472 ' HA3' ' CG ' ' A' ' 94' ' ' GLN . . . -76.01 174.1 53.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.552 HG12 HG13 ' A' ' 110' ' ' ILE . 87.4 t -93.43 103.28 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.94 101.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.88 HD12 HG12 ' A' ' 95' ' ' VAL . 54.8 mt -111.73 147.98 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.552 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -99.22 108.86 21.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.169 ' CE2' HG12 ' A' ' 69' ' ' VAL . 14.4 m-85 -90.75 132.7 35.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 112' ' ' PHE . 3.9 t30 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.98 117.75 20.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.733 ' O ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.98 96.35 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.589 1.836 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -174.49 155.47 2.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.416 ' O ' ' CG2' ' A' ' 108' ' ' VAL . . . -94.37 170.48 9.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.359 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.896 ' O ' HG13 ' A' ' 21' ' ' VAL . 68.3 p -148.25 152.88 37.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.774 HG21 HD11 ' A' ' 110' ' ' ILE . 22.5 t -100.99 124.48 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.773 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -31.35 -70.33 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.147 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.773 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.04 -90.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 3.9 p 92.43 20.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.414 ' O ' HD23 ' A' ' 13' ' ' LEU . 98.2 p -158.68 141.01 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.55 42.26 93.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.1 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.942 ' HB3' HG21 ' A' ' 17' ' ' THR . 6.6 mt -82.65 -146.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 0.74 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.28 166.64 16.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.569 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 18.5 p-10 -63.3 97.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.489 ' H ' ' HA ' ' A' ' 70' ' ' ARG . . . 97.33 35.78 5.12 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.942 HG21 ' HB3' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -71.84 89.04 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 0.775 . . . . 0.0 110.409 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.548 HG22 ' HB ' ' A' ' 68' ' ' THR . 10.8 t -79.87 87.11 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.467 ' CG2' HG13 ' A' ' 7' ' ' VAL . 19.6 m -107.3 -178.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -85.0 133.79 34.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 6' ' ' THR . 41.1 t -129.1 135.69 61.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.46 155.67 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.848 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 103.79 175.25 25.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.784 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 152.45 -158.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 0.806 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.705 ' N ' HD22 ' A' ' 97' ' ' LEU . . . -61.92 -3.12 4.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.572 1.17 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.539 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.2 tp 51.03 59.62 4.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.553 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 16.0 mm-40 -85.4 -98.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 175.1 96.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.215 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.53 21.21 6.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.42 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 18.8 m -84.58 163.79 19.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 0.753 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.56 146.22 29.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.96 ' CD1' HD13 ' A' ' 97' ' ' LEU . 4.4 m-85 -142.78 77.42 1.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -43.22 118.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.577 HG21 ' HG ' ' A' ' 67' ' ' LEU . 54.1 t -59.19 138.81 19.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -134.22 148.19 19.37 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.814 ' HG3' HG23 ' A' ' 95' ' ' VAL . 1.1 mt-30 -141.23 121.41 13.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.609 0.829 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 12.2 m -127.72 178.48 6.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 108.257 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 1.031 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -149.3 136.38 19.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.415 ' HD1' HD12 ' A' ' 45' ' ' LEU . 23.6 t90 -86.19 127.72 34.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 107.994 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.716 HG22 ' NE1' ' A' ' 83' ' ' TRP . 13.1 t -103.79 -123.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.485 ' HB3' HG23 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -56.21 -161.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.8 m -67.46 -51.13 55.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.46 37.12 3.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.438 1.086 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.618 HG13 HD11 ' A' ' 77' ' ' LEU . 11.6 t -130.71 119.28 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.415 HD12 ' HD1' ' A' ' 39' ' ' TRP . 1.8 tt -133.97 123.04 23.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.69 ' HB3' ' HD1' ' A' ' 83' ' ' TRP . . . -105.53 114.4 28.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 1.3 m -87.27 165.44 15.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 108.267 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 21.7 t-20 -115.8 84.37 12.84 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.08 42.62 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.96 1.03 3.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.454 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -48.31 -58.45 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.452 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 69.4 -50.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.5 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 1.0 OUTLIER -35.0 153.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.4 p -141.38 130.26 23.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.989 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.924 HG23 ' CG2' ' A' ' 65' ' ' THR . 1.2 p -112.32 154.26 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.5 m -113.92 149.16 35.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.385 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -83.87 166.72 17.67 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.603 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.3 p30 -125.91 120.36 30.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.521 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.55 -90.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.603 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.8 m-20 -35.99 -45.8 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.539 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.87 2.43 6.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.436 1.085 . . . . 0.0 110.973 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 39.8 m -78.88 133.11 36.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.848 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -66.27 164.26 16.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 65' ' ' THR . 35.5 p -172.79 107.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.924 ' CG2' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.07 -176.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.625 ' O ' HD12 ' A' ' 67' ' ' LEU . 25.5 p -92.48 128.35 38.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 66' ' ' SER . 2.4 mp -123.27 137.83 54.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.548 ' HB ' HG22 ' A' ' 18' ' ' VAL . 1.4 t -87.84 89.8 8.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.34 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.815 ' HB ' HG23 ' A' ' 17' ' ' THR . 8.6 t -74.77 68.5 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.604 ' HG2' ' OE1' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -42.18 158.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.797 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 4.0 ttt180 -103.01 -62.65 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.452 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 53.0 p -111.44 144.45 40.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.942 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.6 ' CE2' ' SG ' ' A' ' 88' ' ' CYS . 49.2 p90 -177.18 -168.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.605 1.191 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' HA ' ' C ' ' A' ' 84' ' ' GLY . 0.6 OUTLIER -100.15 114.12 27.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 110.271 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.35 158.63 17.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -141.0 142.55 34.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 0.76 . . . . 0.0 111.038 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.618 HD11 HG13 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -69.53 -46.32 66.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.609 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.7 t80 83.24 12.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -126.16 -47.42 1.62 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 178.51 38.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.502 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -165.39 169.35 15.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 110.434 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.502 ' N ' ' CG2' ' A' ' 81' ' ' THR . 13.0 ptt85 -148.74 137.32 21.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.716 ' NE1' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -71.28 -80.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.013 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 129.96 165.47 11.63 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 85' ' ' THR . 1.1 m -67.31 68.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 110.466 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.52 HG22 ' H ' ' A' ' 87' ' ' ASP . 6.5 p -128.54 171.32 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.52 ' H ' HG22 ' A' ' 86' ' ' VAL . 11.3 m-20 -57.65 145.29 34.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.798 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -103.57 -30.39 10.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 108.332 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.491 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -49.56 -33.76 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -23.7 64.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -107.05 24.28 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 38.14 59.19 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 1.031 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -51.11 -179.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 108.223 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 9.0 pm0 -162.12 156.14 21.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.814 HG23 ' HG3' ' A' ' 36' ' ' GLN . 7.5 p -132.3 112.74 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.185 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.435 ' CA ' ' HG2' ' A' ' 106' ' ' GLU . . . -128.88 -169.12 12.53 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.561 1.163 . . . . 0.0 110.934 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.96 HD13 ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.54 147.94 30.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -146.0 97.92 3.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 110.039 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -91.96 169.14 10.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.91 36.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.82 -39.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -79.24 -59.86 2.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.56 1.163 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.49 ' O ' ' O ' ' A' ' 102' ' ' GLY . 12.4 t-20 34.02 -153.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.282 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.26 -162.93 26.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.425 1.078 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.52 35.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.444 1.76 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.435 ' HG2' ' CA ' ' A' ' 96' ' ' GLY . 59.5 mp0 -96.08 -89.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.335 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 125.2 -2.7 8.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.546 HG11 ' O ' ' A' ' 95' ' ' VAL . 75.4 t -75.72 68.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.1 113.06 3.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.81 HD13 HG11 ' A' ' 69' ' ' VAL . 66.8 mt -114.51 158.37 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.04 96.31 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.071 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.797 ' CD2' ' HA ' ' A' ' 71' ' ' ARG . 5.8 m-30 -74.76 123.68 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.484 ' O ' HG22 ' A' ' 4' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -72.04 -52.63 7.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.769 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -75.01 -62.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.727 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER 66.99 155.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.886 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . . . -90.5 125.4 35.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.735 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.9 p -135.79 160.3 38.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.802 HG22 HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -104.99 127.7 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.351 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.619 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.03 -62.8 0.35 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.402 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.933 ' HG2' HG21 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.0 178.98 6.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.53 1.805 . . . . 0.0 110.96 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.475 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 21.4 t -177.43 27.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.025 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.583 ' O ' HD23 ' A' ' 13' ' ' LEU . 7.3 p 172.14 160.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.22 28.33 58.68 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.761 HD12 HG21 ' A' ' 110' ' ' ILE . 7.7 mt -90.95 -145.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.444 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.9 t -158.2 159.66 36.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.525 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 6.5 p-10 -57.17 103.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.435 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 94.3 34.61 6.32 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.505 1.128 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.687 HG21 ' HB3' ' A' ' 13' ' ' LEU . 1.3 m -70.45 88.23 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.74 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.0 t -73.99 83.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.933 HG21 ' HG2' ' A' ' 9' ' ' PRO . 5.4 m -97.93 -178.82 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -86.42 135.26 33.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 6' ' ' THR . 10.2 p -124.92 134.43 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -135.95 149.78 49.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.937 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 106.38 -179.2 22.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 150.8 -158.83 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.566 0.803 . . . . 0.0 109.407 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.32 -2.11 9.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.564 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.8 tp 46.18 69.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.285 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.658 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.4 tp60 -97.56 -82.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 165.22 84.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.603 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 59.64 12.47 19.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.607 1.192 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.4 m -72.8 152.57 41.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 0.743 . . . . 0.0 110.423 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.506 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -63.0 147.67 49.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.767 ' HB3' HD21 ' A' ' 97' ' ' LEU . 3.1 m-30 -146.13 77.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.4 OUTLIER -47.37 131.65 13.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.723 HG13 HD11 ' A' ' 67' ' ' LEU . 52.8 t -75.49 151.01 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.452 1.095 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -119.24 -160.98 11.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.125 . . . . 0.0 111.057 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.612 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 5.3 tp60 155.26 99.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.529 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 55.7 m -122.49 -174.68 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.927 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . -135.38 82.51 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.836 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -68.8 116.82 9.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 107.987 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.047 HG22 ' HB1' ' A' ' 91' ' ' ALA . 24.2 t -115.4 -31.59 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.406 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -178.81 176.52 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.3 m -56.92 91.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.03 -11.15 44.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.482 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 2.4 t -97.59 40.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.478 0.752 . . . . 0.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.836 HD12 ' HB2' ' A' ' 39' ' ' TRP . 8.1 tt -100.48 96.62 7.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.964 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -73.78 89.94 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.529 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -76.34 142.54 41.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.718 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 5.4 t-20 -114.69 90.76 23.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 39.36 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -130.12 1.55 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 1.1 p30 -42.85 -51.2 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 18.3 m-30 67.2 -46.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.19 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.569 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.3 m -34.92 155.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.06 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.7 t -153.16 146.32 24.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.728 ' HB ' HG21 ' A' ' 65' ' ' THR . 1.9 p -135.6 159.9 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -123.57 141.59 51.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.621 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -66.38 177.24 1.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.226 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 60' ' ' ASN . 11.3 p30 -136.0 122.73 21.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.19 -89.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.633 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -39.11 -47.13 1.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.588 1.18 . . . . 0.0 109.337 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.621 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 131.97 -3.98 5.31 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.512 1.133 . . . . 0.0 111.061 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.469 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -73.67 139.8 45.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 0.735 . . . . 0.0 109.985 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.937 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -80.16 156.99 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' A' ' 65' ' ' THR . 1.4 m -159.58 117.3 2.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.728 HG21 ' HB ' ' A' ' 55' ' ' VAL . 9.0 t -177.09 -142.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.548 ' N ' HG23 ' A' ' 65' ' ' THR . 1.1 m -136.26 126.21 25.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.723 HD11 HG13 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -101.46 135.06 43.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.649 ' O ' ' N ' ' A' ' 70' ' ' ARG . 1.2 t -87.16 81.23 8.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.499 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.087 HG11 HG21 ' A' ' 110' ' ' ILE . 6.9 t -58.62 70.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.676 ' HG3' ' CZ ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -68.3 126.31 29.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 110.343 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.525 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 32.0 ttp180 -85.26 -72.33 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 89.5 p -59.91 95.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CE2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -135.62 169.42 17.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.518 ' O ' ' CG ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -128.36 72.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.405 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -77.52 155.7 43.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 47' ' ' CYS . 50.8 p90 -97.43 136.08 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.529 HD22 ' CD1' ' A' ' 83' ' ' TRP . 3.0 mm? -34.8 -62.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.526 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER 160.64 -26.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 1.3 t0 171.11 56.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -164.14 -56.8 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.546 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -154.08 171.06 19.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.582 0.813 . . . . 0.0 110.39 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.546 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.0 OUTLIER -112.61 138.27 49.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.964 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 45.6 m95 -65.55 -94.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 152.9 166.08 14.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.426 1.079 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 85' ' ' THR . 7.0 m -64.86 70.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 0.796 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 84' ' ' GLY . 5.9 p -110.01 166.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.88 100.52 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' ALA . 1.6 m -43.46 -31.01 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 108.312 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 t -48.73 -22.89 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.399 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.16 -26.03 58.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.047 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -126.85 16.56 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 36.94 75.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.901 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 1.3 m -50.8 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 108.346 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -149.14 150.1 32.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.702 ' CG2' HD12 ' A' ' 67' ' ' LEU . 1.4 t -110.32 113.29 43.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -109.5 174.16 17.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.886 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 2.5 tm? -112.29 154.76 25.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.852 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -136.79 136.16 38.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.025 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.431 ' CG ' ' CG ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -113.19 -177.83 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.28 1.19 12.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.84 -8.48 21.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 69.59 35.42 74.65 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.438 ' O ' ' O ' ' A' ' 102' ' ' GLY . 9.2 p-10 -49.36 179.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.575 0.809 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -87.27 -170.65 46.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -164.54 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.854 ' HG3' HG23 ' A' ' 108' ' ' VAL . 21.5 tp10 -121.79 -40.53 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 94.78 24.29 18.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.854 HG23 ' HG3' ' A' ' 106' ' ' GLU . 76.7 t -79.01 81.53 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.4 110.15 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 1.087 HG21 HG11 ' A' ' 69' ' ' VAL . 2.1 mt -102.86 131.01 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.552 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -85.67 106.7 17.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.955 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.971 ' CE2' HG12 ' A' ' 69' ' ' VAL . 37.1 m-85 -81.31 125.27 30.14 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.379 1.049 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.08 144.64 51.02 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.911 ' O ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.03 114.35 4.0 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.427 1.751 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.911 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -178.44 148.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.77 ' CB ' HD23 ' A' ' 97' ' ' LEU . . . -101.81 155.09 18.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.61 ' O ' HG13 ' A' ' 21' ' ' VAL . 13.7 p -151.77 158.47 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.153 . . . . 0.0 110.367 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.983 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.8 t -99.16 134.75 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.395 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.532 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.49 -58.34 0.82 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.983 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.96 -161.52 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.438 1.757 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.99 23.35 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.555 ' O ' HD12 ' A' ' 13' ' ' LEU . 66.8 p 179.88 72.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.969 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.694 ' HA2' HG21 ' A' ' 17' ' ' THR . . . -49.63 -25.43 6.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 11' ' ' SER . 0.7 OUTLIER 45.07 20.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 0.768 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.494 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -148.03 122.6 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.519 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 20.9 t0 -59.64 100.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.558 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 99.09 31.62 6.16 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.46 1.1 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.694 HG21 ' HA2' ' A' ' 12' ' ' GLY . 1.0 OUTLIER -63.3 85.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 110.459 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 16' ' ' GLY . 6.4 t -72.34 98.98 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.774 HG21 ' CG ' ' A' ' 9' ' ' PRO . 34.6 m -124.94 175.47 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -65.82 148.41 51.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.862 HG22 HG13 ' A' ' 7' ' ' VAL . 53.3 t -145.09 143.55 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -147.34 155.94 42.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.881 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 100.53 175.73 29.83 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.772 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 152.54 -161.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.12 -4.95 5.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.153 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.5 OUTLIER 49.93 65.26 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 0.712 . . . . 0.0 109.349 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.689 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 33.4 tp60 -85.59 -94.87 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 162.45 100.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.66 34.45 20.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.821 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 4.7 m -109.97 152.12 26.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 110.438 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.91 150.06 48.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.746 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 5.9 m-85 -144.83 78.11 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -53.23 121.67 7.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.649 ' HA ' HD13 ' A' ' 97' ' ' LEU . 99.1 t -62.09 156.33 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' HA2' ' CG ' ' A' ' 51' ' ' ASP . . . -151.62 145.73 13.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.429 1.081 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.796 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -136.73 120.82 17.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.455 0.738 . . . . 0.0 110.317 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.486 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 10.9 m -128.76 175.97 8.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.04 135.08 32.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.248 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.608 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -102.64 126.99 49.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 107.983 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.522 HG22 ' HB2' ' A' ' 91' ' ' ALA . 93.5 t -112.36 -27.39 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.547 ' O ' ' CE2' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -160.85 -163.92 1.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.565 ' HA ' ' CH2' ' A' ' 39' ' ' TRP . 1.0 OUTLIER -78.41 -24.68 46.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.419 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.38 11.23 9.14 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.496 1.122 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.572 HG13 HD11 ' A' ' 77' ' ' LEU . 2.8 t -118.63 103.45 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.475 0.75 . . . . 0.0 109.245 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.608 HD22 ' HA ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -137.31 97.94 3.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.517 ' HB1' ' HA3' ' A' ' 75' ' ' GLY . . . -88.83 107.28 18.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.1 m -84.8 157.01 21.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.298 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 57.9 t30 -112.82 91.93 19.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.643 1.214 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -75.02 39.16 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.629 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -133.19 3.24 3.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 109.369 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -44.82 -50.5 10.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 21.7 m-85 63.68 -57.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.574 ' N ' ' O ' ' A' ' 51' ' ' ASP . 3.6 m -31.13 146.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.037 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 p -144.7 141.48 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.748 HG23 ' HB ' ' A' ' 65' ' ' THR . 3.9 p -128.49 -179.18 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.718 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -133.88 153.48 51.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 110.365 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.955 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -84.43 145.33 28.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.5 p30 -109.32 120.63 43.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.81 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -43.38 -44.07 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.955 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 124.87 6.08 6.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.498 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.6 t -76.44 132.15 39.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 109.941 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -67.56 157.26 34.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' A' ' 65' ' ' THR . 34.7 p -162.45 103.34 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.748 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.3 174.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.407 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 5.5 m -89.04 127.93 35.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.852 ' HB2' HG21 ' A' ' 21' ' ' VAL . 5.3 mp -114.74 142.9 45.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 68' ' ' THR . 9.9 t -84.12 97.88 9.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.084 HG12 ' CE2' ' A' ' 112' ' ' PHE . 23.2 t -69.41 65.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.569 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -58.39 132.28 53.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.519 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 2.3 ttt180 -91.03 -74.06 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.5 t -78.75 109.94 13.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.962 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 48' ' ' ASN . 5.5 p90 -148.58 162.79 38.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.425 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 1.0 OUTLIER -82.77 116.2 22.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.517 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -103.43 146.49 16.49 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CG ' ' HB3' ' A' ' 82' ' ' ARG . 9.9 m-85 -125.24 125.3 43.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.06 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.644 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 4.6 mm? -40.8 -68.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.644 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.4 t80 152.44 -19.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.24 -73.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.389 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.74 23.49 0.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.0 m -121.93 158.94 27.95 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 0.752 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.471 ' HB3' ' CG ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -166.94 147.08 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.353 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.419 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 62.5 m95 -84.42 -49.23 8.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.056 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 76.72 137.95 0.84 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.554 1.159 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.745 ' O ' HG23 ' A' ' 85' ' ' THR . 3.5 t 33.56 46.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 110.411 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.6 p -87.83 147.46 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -77.6 106.8 9.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.696 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -46.4 -31.57 2.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 108.288 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.872 HG21 ' HB3' ' A' ' 113' ' ' ASN . 25.6 p -62.34 -34.41 76.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.47 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.529 ' N ' ' O ' ' A' ' 87' ' ' ASP . 3.2 m -59.82 -31.58 69.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.639 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -135.8 39.47 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.639 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 18.24 63.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 1.7 p -45.65 175.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 108.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.506 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 4.9 pm0 -139.39 159.39 42.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.796 HG23 ' HG2' ' A' ' 36' ' ' GLN . 14.6 p -128.56 119.87 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.39 -176.49 14.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.77 HD23 ' CB ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -106.84 148.74 28.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.8 132.86 40.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -103.28 174.41 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.85 33.76 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 0.0 109.372 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -159.53 -42.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -82.53 -57.72 2.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.484 ' ND2' ' H ' ' A' ' 104' ' ' GLY . 10.8 t30 36.57 -157.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.484 ' H ' ' ND2' ' A' ' 103' ' ' ASN . . . 82.45 159.86 26.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.376 1.048 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -74.97 144.86 30.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.438 1.757 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.1 mt-10 163.55 41.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -82.02 -179.19 52.78 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.506 ' N ' ' HB2' ' A' ' 94' ' ' GLN . 8.7 p -101.67 123.85 55.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.424 0.72 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.76 116.49 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.533 HD11 ' HB ' ' A' ' 7' ' ' VAL . 35.5 mt -114.79 153.96 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -93.27 104.98 17.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.043 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.084 ' CE2' HG12 ' A' ' 69' ' ' VAL . 3.7 m-85 -96.51 158.89 15.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.872 ' HB3' HG21 ' A' ' 89' ' ' THR . 28.4 t-20 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.482 ' HA ' ' CA ' ' A' ' 25' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.967 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -59.71 -59.1 14.94 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 1.001 ' O ' HG23 ' A' ' 4' ' ' THR . 18.4 Cg_endo -74.97 -91.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.404 1.739 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 1.001 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 171.46 167.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.596 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -106.02 167.51 9.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.706 ' HA ' HG21 ' A' ' 108' ' ' VAL . 17.3 p -152.59 152.85 32.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.343 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.863 HG12 ' CD1' ' A' ' 110' ' ' ILE . 5.9 p -125.09 150.49 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.487 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.78 -56.06 0.88 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.481 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.7 ' HD2' HG22 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.03 -161.39 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.8 . . . . 0.0 111.001 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.876 ' O ' HG23 ' A' ' 110' ' ' ILE . 85.6 p -160.91 -29.82 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.498 ' HA ' ' O ' ' A' ' 111' ' ' SER . 14.1 p -169.44 155.04 5.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.06 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 78.93 28.48 54.33 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 111.066 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.008 HD12 HG11 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -74.35 -147.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.479 0.753 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.97 166.41 32.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.541 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 5.7 p-10 -62.72 99.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.507 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 86.97 34.7 10.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -66.41 82.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.404 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 16' ' ' GLY . 4.9 t -67.09 101.64 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -125.91 173.58 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 65' ' ' THR . 1.5 tttt -73.9 125.11 27.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.767 HG11 HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -111.44 142.84 22.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.44 160.4 40.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.777 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 74.77 -165.31 54.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 141.5 -130.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.482 ' CA ' ' HA ' ' A' ' 1' ' ' ALA . . . -76.93 -2.92 79.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.559 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 46.61 57.27 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.722 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -72.96 -90.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 160.39 95.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . 36.25 56.79 1.15 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.569 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -133.95 150.64 51.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 110.421 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.03 146.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.371 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.791 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -149.3 81.45 1.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 98' ' ' SER . 10.8 t70 -59.14 120.14 8.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.672 HG22 HD21 ' A' ' 67' ' ' LEU . 7.1 t -55.95 153.1 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -130.51 -156.01 8.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.407 1.067 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.879 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 159.28 110.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 11.1 m -130.01 173.71 10.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.365 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.563 ' HB2' ' HZ ' ' A' ' 73' ' ' PHE . . . -137.81 133.7 34.3 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.574 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 24.8 p-90 -101.56 116.18 32.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 108.027 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.704 HG21 ' NE1' ' A' ' 83' ' ' TRP . 86.1 t -83.15 -109.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.625 ' N ' HG12 ' A' ' 40' ' ' VAL . 75.3 m-20 -91.49 36.72 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 41' ' ' ASP . 0.7 OUTLIER 69.61 -58.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -62.26 -16.58 54.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.569 HG13 HD11 ' A' ' 77' ' ' LEU . 14.7 t -125.1 123.02 64.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.374 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 tt -132.7 118.0 18.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.58 ' HB1' ' N ' ' A' ' 76' ' ' PHE . . . -103.88 113.36 26.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.46 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -87.35 161.4 17.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 108.281 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.552 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 5.4 t-20 -114.45 89.51 18.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.07 41.84 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.545 1.813 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.445 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.35 4.83 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.228 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -37.49 -49.65 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.02 -60.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.587 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.0 m -35.81 153.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.419 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 11.2 p -157.52 142.09 16.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.004 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.923 HG21 ' CG2' ' A' ' 65' ' ' THR . 1.2 p -144.84 -157.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.688 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.3 m -144.98 163.05 35.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.79 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -86.76 170.39 11.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.646 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.1 p30 -124.63 118.84 27.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.526 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.83 -89.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.646 ' N ' ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -36.68 -46.48 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.559 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 124.91 5.85 6.7 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.524 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -85.67 134.08 34.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.971 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -66.8 162.79 20.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.447 ' O ' ' HB ' ' A' ' 65' ' ' THR . 78.6 p -162.48 105.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.923 ' CG2' HG21 ' A' ' 55' ' ' VAL . 6.6 t -177.86 -137.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.369 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.537 ' O ' HD12 ' A' ' 67' ' ' LEU . 18.0 p -138.75 129.01 25.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.767 HD22 HG11 ' A' ' 21' ' ' VAL . 5.6 mp -118.96 146.45 44.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.866 HG23 ' NE ' ' A' ' 70' ' ' ARG . 6.5 t -81.22 100.76 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.318 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.008 HG11 HD12 ' A' ' 13' ' ' LEU . 99.4 t -67.56 67.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.866 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -63.49 130.17 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.541 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 5.2 ttp180 -102.32 -74.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.4 p -75.92 90.1 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.034 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.563 ' HZ ' ' HB2' ' A' ' 38' ' ' ALA . 2.9 p90 -135.67 157.95 45.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -81.89 105.99 13.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.341 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.5 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -87.13 150.13 22.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.58 ' N ' ' HB1' ' A' ' 46' ' ' ALA . 2.4 m-85 -133.43 137.3 45.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.606 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 1.1 mm? -57.8 -46.73 84.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.606 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.0 t80 83.46 8.9 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 111.041 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.53 -40.69 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 171.59 39.39 0.03 OUTLIER Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.531 HG22 HD23 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -166.51 164.93 17.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 0.765 . . . . 0.0 110.392 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.0 OUTLIER -156.21 132.97 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.704 ' NE1' HG21 ' A' ' 40' ' ' VAL . 20.1 m95 -80.58 -79.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.623 1.202 . . . . 0.0 108.03 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.638 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 102.5 150.82 23.11 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 15.93 75.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 110.404 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.7 p -125.16 147.65 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.36 119.62 25.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.607 ' SG ' ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -67.62 -36.79 81.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 108.25 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.539 ' OG1' ' CA ' ' A' ' 113' ' ' ASN . 7.5 t -60.22 -24.4 64.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.4 m -77.7 -24.41 49.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -125.92 25.16 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 31.27 61.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 1.4 p -53.65 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 108.313 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.456 ' HB2' ' C ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -137.0 147.56 46.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.344 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.879 HG23 ' HG2' ' A' ' 36' ' ' GLN . 12.9 p -137.74 104.94 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.51 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -136.51 -161.35 9.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -93.62 158.14 15.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -148.97 145.31 27.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.48 ' OD1' ' OD1' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -70.79 173.24 7.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.06 -7.9 20.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.15 -12.07 10.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 109.247 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 73.21 46.15 28.38 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.562 ' C ' ' OD1' ' A' ' 103' ' ' ASN . 6.4 p-10 -55.14 -163.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -30.81 105.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -74.99 -155.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.57 1.826 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.588 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 5.2 tt0 93.87 54.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.51 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . -50.31 -91.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 95' ' ' VAL . 12.2 p -160.85 105.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.15 106.78 3.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.876 HG23 ' O ' ' A' ' 10' ' ' SER . 10.5 mt -128.68 151.27 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.498 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -77.29 103.03 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.763 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 3.0 m-30 -80.19 5.83 13.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.539 ' CA ' ' OG1' ' A' ' 89' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.833 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -76.95 -55.25 1.47 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.381 1.051 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.971 ' O ' HG23 ' A' ' 4' ' ' THR . 18.0 Cg_endo -75.06 151.19 38.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.964 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.971 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 178.31 153.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -109.04 141.5 41.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.6 p -146.43 161.05 41.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.458 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.813 HG13 ' HD2' ' A' ' 9' ' ' PRO . 1.3 p -104.16 169.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.599 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -55.32 -61.77 5.49 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.434 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.813 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -74.88 167.56 26.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.948 ' C ' HG23 ' A' ' 110' ' ' ILE . 43.1 t -132.83 -0.33 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.005 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.457 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 89.7 p 177.87 149.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.37 28.65 32.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.027 HD12 HG11 ' A' ' 69' ' ' VAL . 0.6 OUTLIER -72.66 -145.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.31 171.98 18.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.556 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 19.6 p-10 -65.31 99.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 79.61 35.58 28.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.062 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.77 ' O ' HG22 ' A' ' 17' ' ' THR . 0.8 OUTLIER -64.97 84.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.54 HG12 ' HB3' ' A' ' 66' ' ' SER . 3.8 t -69.7 95.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.778 HG23 ' CG2' ' A' ' 7' ' ' VAL . 0.8 OUTLIER -117.25 177.48 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.41 148.65 49.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 65' ' ' THR . 3.9 p -144.3 149.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -152.65 152.96 32.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.906 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 101.07 177.61 29.13 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.422 1.076 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.07 -156.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.55 -1.19 4.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.541 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.3 tp 49.23 59.01 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.799 ' OE1' HG21 ' A' ' 30' ' ' THR . 2.4 tt0 -84.54 -98.77 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 176.36 96.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 44.17 24.52 0.58 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.799 HG21 ' OE1' ' A' ' 27' ' ' GLN . 32.7 m -91.39 156.6 17.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.784 . . . . 0.0 110.379 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.84 147.97 52.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.548 ' CD1' HD23 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -144.31 78.76 1.59 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -48.42 118.76 2.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.64 ' CG1' HD13 ' A' ' 67' ' ' LEU . 94.6 t -62.97 147.55 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' OD2' ' A' ' 51' ' ' ASP . . . -134.09 140.55 11.87 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.872 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -131.76 117.92 19.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.759 . . . . 0.0 110.363 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.485 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 7.0 m -129.85 170.56 13.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 108.286 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -133.74 112.64 11.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.594 ' HE1' ' HB3' ' A' ' 92' ' ' ALA . 11.1 p-90 -82.12 111.35 18.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 108.01 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.645 HG21 ' CE2' ' A' ' 83' ' ' TRP . 89.7 t -78.84 -109.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.619 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -91.42 37.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 70.23 -58.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 1.18 . . . . 0.0 110.407 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' N ' HG22 ' A' ' 42' ' ' THR . . . -59.27 -15.5 30.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.478 1.112 . . . . 0.0 110.975 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.519 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 65.2 t -128.42 135.53 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.463 HD23 ' HB3' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -137.26 103.26 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.773 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -79.07 92.96 5.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.485 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -80.89 149.23 29.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 108.217 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.631 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 4.0 t-20 -114.11 89.3 16.68 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -74.91 34.92 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.535 1.808 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.97 3.9 3.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.079 . . . . 0.0 109.389 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -43.4 -49.31 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 71.85 -51.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.545 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.8 m -30.82 144.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 62.2 p -139.77 139.05 36.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.609 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 4.7 p -129.25 154.94 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.2 m -114.13 152.47 31.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -85.57 169.91 13.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.599 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.8 p30 -129.09 119.03 23.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.32 -90.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.369 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.599 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.7 t-20 -35.97 -44.92 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.541 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.4 1.95 7.07 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.513 1.133 . . . . 0.0 111.05 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 4.0 t -77.81 134.92 37.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.74 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.906 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -71.4 160.26 33.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 65' ' ' THR . 65.8 p -162.3 106.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.977 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -179.28 -171.96 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.592 ' N ' HG23 ' A' ' 65' ' ' THR . 19.3 m -100.8 128.63 46.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.039 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.971 ' HG ' HG11 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -111.15 134.81 52.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.905 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -80.1 97.99 7.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 110.418 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.027 HG11 HD12 ' A' ' 13' ' ' LEU . 83.5 t -67.49 65.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.905 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -58.7 127.16 30.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.361 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.556 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 10.4 ttp180 -88.28 -71.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.2 t -75.7 111.35 10.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.589 1.181 . . . . 0.0 109.981 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.663 ' CZ ' ' HD2' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -139.36 166.03 25.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.514 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 4.3 pt-20 -115.97 71.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.495 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -74.82 152.65 44.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.125 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.706 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -102.54 134.29 46.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 0.772 . . . . 0.0 111.006 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.598 HD13 ' HB ' ' A' ' 81' ' ' THR . 10.0 mp -38.17 -66.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.661 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER 158.77 -23.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.16 -36.27 11.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.408 1.067 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 168.79 -29.23 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.598 ' HB ' HD13 ' A' ' 77' ' ' LEU . 24.5 m -60.35 155.33 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.773 . . . . 0.0 110.417 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.457 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -144.35 133.36 22.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.773 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 86.8 m95 -67.97 -67.84 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 107.965 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.534 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 94.43 134.9 7.62 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.749 ' O ' HG23 ' A' ' 85' ' ' THR . 2.8 t 27.49 45.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 0.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 73' ' ' PHE . 8.0 p -91.82 141.96 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.456 ' O ' ' HB ' ' A' ' 90' ' ' THR . 12.4 m-20 -72.02 90.31 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -52.97 -32.52 46.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 108.306 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.54 ' OG1' ' N ' ' A' ' 113' ' ' ASN . 2.5 t -63.52 -35.71 81.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.444 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -65.61 -28.94 69.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.434 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -109.08 30.62 6.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.594 ' HB3' ' HE1' ' A' ' 39' ' ' TRP . . . 33.91 54.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.555 ' SG ' ' CE2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -50.86 -178.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 108.283 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 13.8 pm0 -140.54 152.96 45.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.872 HG23 ' CG ' ' A' ' 36' ' ' GLN . 14.3 p -139.95 89.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -119.31 -163.65 12.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.001 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -87.41 158.75 18.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 0.799 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . 1.001 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -148.4 108.9 4.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.952 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.29 168.05 20.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.9 35.17 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -165.49 -38.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.37 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -77.12 -62.86 2.38 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.438 1.087 . . . . 0.0 110.993 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.562 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.7 p30 34.28 -158.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 109.325 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.505 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 88.24 177.32 47.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.442 1.089 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.454 ' HB3' HD13 ' A' ' 45' ' ' LEU . 18.3 Cg_endo -74.98 98.18 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.541 1.811 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -154.04 19.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -74.7 175.0 50.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 108' ' ' VAL . 9.9 p -91.51 103.44 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.571 0.806 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -72.47 106.37 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.236 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.948 HG23 ' C ' ' A' ' 10' ' ' SER . 38.4 mt -130.42 151.12 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.457 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -70.81 100.51 1.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.064 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.892 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 4.0 m-30 -81.16 12.25 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.54 ' N ' ' OG1' ' A' ' 89' ' ' THR . 33.5 t30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.39 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.708 ' N ' ' CD ' ' A' ' 3' ' ' PRO . . . -77.37 -39.73 2.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.238 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.741 ' C ' HG23 ' A' ' 4' ' ' THR . 18.5 Cg_endo -75.06 -89.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.741 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER 67.42 150.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.529 ' CB ' ' HG ' ' A' ' 97' ' ' LEU . . . -77.95 126.2 30.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.528 ' HA ' HG21 ' A' ' 108' ' ' VAL . 18.5 p -151.45 153.84 35.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.35 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.689 HG22 HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -101.16 124.7 55.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.541 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.14 -58.32 0.49 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.946 ' HG2' HG21 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.95 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.792 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.83 28.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.542 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 64.2 p 176.66 63.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.06 . . . . 0.0 109.979 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.689 ' HA3' HG21 ' A' ' 17' ' ' THR . . . -56.04 -24.38 42.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.562 1.164 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.542 ' CD1' ' O ' ' A' ' 11' ' ' SER . 0.3 OUTLIER 47.04 19.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 0.782 . . . . 0.0 109.347 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.497 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -137.85 118.98 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.993 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.573 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 55.5 t0 -54.66 96.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.504 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 99.0 37.11 4.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -67.85 78.45 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 0.741 . . . . 0.0 110.432 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.796 HG12 ' HB2' ' A' ' 66' ' ' SER . 4.6 t -61.89 94.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.946 HG21 ' HG2' ' A' ' 9' ' ' PRO . 12.9 m -106.32 -175.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.075 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -86.73 109.82 19.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.837 HG21 HD22 ' A' ' 67' ' ' LEU . 8.2 p -102.26 126.01 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -133.05 159.2 40.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.838 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 98.16 176.43 33.23 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 152.35 -159.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.8 -2.88 3.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.572 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.9 OUTLIER 49.37 64.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.545 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 3.8 mt-30 -91.23 -96.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 172.35 87.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.449 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 66.12 15.27 62.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 31' ' ' ALA . 94.7 m -71.58 171.8 10.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.478 ' N ' HG22 ' A' ' 30' ' ' THR . . . -100.12 142.54 31.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.778 ' HB3' HD13 ' A' ' 97' ' ' LEU . 21.5 m-85 -137.93 77.25 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.43 127.83 23.69 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.754 HG21 ' HB3' ' A' ' 53' ' ' SER . 38.6 t -58.01 164.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.483 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -133.67 -75.56 0.1 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.763 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 69.45 102.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 29.4 m -121.67 178.82 4.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 108.337 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.858 ' HB2' ' SG ' ' A' ' 88' ' ' CYS . . . -130.41 91.88 3.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -72.07 113.61 9.3 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.575 1.172 . . . . 0.0 108.007 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.09 HG22 ' HB1' ' A' ' 91' ' ' ALA . 16.7 t -110.79 -28.32 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER 177.65 174.68 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.38 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.1 m -55.83 91.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.08 . . . . 0.0 110.322 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.33 -10.39 46.69 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.431 1.082 . . . . 0.0 111.096 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.623 HG13 HD21 ' A' ' 77' ' ' LEU . 2.2 t -97.2 40.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.593 0.819 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.91 ' O ' HD23 ' A' ' 45' ' ' LEU . 2.6 tt -99.32 96.23 7.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.632 ' HB1' ' C ' ' A' ' 75' ' ' GLY . . . -76.59 93.68 3.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.566 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -70.35 154.59 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 108.255 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.518 ' C ' ' H ' ' A' ' 50' ' ' ALA . 24.6 t-20 -115.52 81.17 8.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.94 28.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.472 1.775 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -126.38 0.09 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -46.75 -53.93 10.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.593 1.183 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.516 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER 78.01 -39.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.754 ' HB3' HG21 ' A' ' 34' ' ' VAL . 18.0 m -43.27 158.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.7 p -156.06 143.45 19.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.71 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 5.2 p -128.58 146.74 33.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.7 m -108.17 151.79 25.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.424 1.078 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -77.3 170.68 16.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.647 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.5 p30 -131.29 120.47 23.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.521 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.35 -88.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.647 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.9 t-20 -37.61 -46.75 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.187 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.572 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 129.78 -1.38 5.93 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.489 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -77.0 135.99 38.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 0.716 . . . . 0.0 109.984 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.838 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -69.42 160.07 32.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.165 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' A' ' 65' ' ' THR . 31.1 p -166.71 110.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.616 HG23 ' N ' ' A' ' 66' ' ' SER . 2.5 t -177.61 -162.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.796 ' HB2' HG12 ' A' ' 18' ' ' VAL . 87.8 p -107.66 133.61 51.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.837 HD22 HG21 ' A' ' 21' ' ' VAL . 1.3 mp -126.66 122.69 35.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.562 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 2.7 t -69.56 94.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.829 HG11 HG21 ' A' ' 110' ' ' ILE . 98.9 t -64.93 67.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.598 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 0.2 OUTLIER -47.83 146.19 2.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.59 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -104.3 -49.55 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.1 p -131.17 144.51 51.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.575 1.172 . . . . 0.0 109.979 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 50.5 p90 -179.97 -167.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -88.43 111.6 21.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.372 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.632 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -113.0 136.33 13.37 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.604 ' CD2' ' CB ' ' A' ' 82' ' ' ARG . 6.4 m-85 -121.93 131.01 53.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.623 HD21 HG13 ' A' ' 44' ' ' VAL . 6.4 mp -69.26 -49.66 54.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.1 t80 81.49 16.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -165.36 30.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.2 -61.59 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.518 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -169.73 171.64 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 0.762 . . . . 0.0 110.377 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.604 ' CB ' ' CD2' ' A' ' 76' ' ' PHE . 1.8 ptt180 -116.32 115.99 26.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.641 ' HB3' HG11 ' A' ' 86' ' ' VAL . 78.7 m95 -60.29 -93.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 107.996 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 106.2 136.04 8.27 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.803 ' O ' HG23 ' A' ' 85' ' ' THR . 3.4 t 23.87 52.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 0.719 . . . . 0.0 110.389 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.641 HG11 ' HB3' ' A' ' 83' ' ' TRP . 8.0 p -114.9 158.23 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.79 128.02 34.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.858 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -94.8 -31.48 13.72 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.466 1.104 . . . . 0.0 108.312 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.461 ' HB ' ' HB2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -54.62 -36.86 64.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 1.082 . . . . 0.0 110.376 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.35 -27.99 65.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.464 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.09 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -105.28 24.01 12.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 34.54 70.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.08 -179.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 108.348 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 1.3 pt20 -155.77 140.96 17.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.763 HG23 ' CG ' ' A' ' 36' ' ' GLN . 3.6 p -105.76 117.86 52.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -144.23 150.95 23.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.778 HD13 ' HB3' ' A' ' 32' ' ' TYR . 4.4 pp -103.49 156.88 17.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.53 127.09 28.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.951 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.495 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -100.22 176.19 5.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.19 36.42 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -163.95 -42.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -87.13 -47.29 4.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.465 ' O ' ' O ' ' A' ' 102' ' ' GLY . 12.6 t30 37.34 -158.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.446 ' H ' ' ND2' ' A' ' 103' ' ' ASN . . . 73.95 161.55 7.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 111.055 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 165.56 31.04 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.808 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -98.74 -46.53 5.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.55 14.32 44.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.575 1.172 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.528 HG21 ' HA ' ' A' ' 6' ' ' THR . 73.0 t -78.04 80.1 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.75 111.5 6.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.829 HG21 HG11 ' A' ' 69' ' ' VAL . 5.4 mt -103.79 149.92 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -92.01 95.29 9.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.033 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.662 ' CE1' ' O ' ' A' ' 110' ' ' ILE . 1.3 m-85 -91.98 153.8 19.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 111.06 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.54 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 17.9 m-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.627 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.872 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . 167.62 -55.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.872 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.4 Cg_endo -74.91 83.38 1.81 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.86 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.7 OUTLIER -166.65 138.3 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.515 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -99.84 167.73 10.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.515 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 2.5 p -154.19 156.84 37.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.456 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.075 HG12 ' HD2' ' A' ' 9' ' ' PRO . 5.6 t -120.09 133.1 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.065 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.588 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.1 -61.03 0.51 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.36 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.075 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.94 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 0.0 111.062 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.533 ' C ' HG23 ' A' ' 110' ' ' ILE . 9.9 t -151.21 23.61 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.082 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.496 ' N ' HG23 ' A' ' 110' ' ' ILE . 0.6 OUTLIER -156.08 101.18 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.932 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.714 ' H ' HG22 ' A' ' 110' ' ' ILE . . . -79.4 13.18 23.04 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.452 1.095 . . . . 0.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.695 ' C ' ' O ' ' A' ' 12' ' ' GLY . 5.8 mt -8.94 -70.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -59.0 115.0 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.962 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 9.8 t70 -52.16 101.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 96.93 36.73 4.9 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.841 ' O ' HG23 ' A' ' 69' ' ' VAL . 2.3 m -62.27 88.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.449 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.785 HG22 ' HB ' ' A' ' 68' ' ' THR . 4.2 t -75.1 100.71 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.682 HG21 ' CG ' ' A' ' 9' ' ' PRO . 5.2 m -132.89 171.15 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -51.0 141.69 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.843 HG11 HD22 ' A' ' 67' ' ' LEU . 18.2 t -147.86 128.32 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -131.05 160.01 35.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.367 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.889 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 100.32 175.17 30.09 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.75 -158.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.423 ' C ' ' OH ' ' A' ' 32' ' ' TYR . . . -63.08 -2.24 4.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.693 HD22 ' HB1' ' A' ' 2' ' ' ALA . 0.4 OUTLIER 48.52 60.84 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.265 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.598 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 4.9 tt0 -84.2 -99.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 169.24 96.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.16 39.09 26.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.768 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 51.6 m -115.92 156.89 25.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 0.751 . . . . 0.0 110.359 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.04 151.04 41.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.599 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 1.8 m-85 -148.45 79.35 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.34 124.96 14.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.6 HG22 HD21 ' A' ' 67' ' ' LEU . 70.5 t -64.32 150.79 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.7 143.48 11.5 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -132.56 115.85 15.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.597 0.822 . . . . 0.0 110.316 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 93' ' ' CYS . 3.9 m -126.43 172.82 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.728 ' HB2' ' CB ' ' A' ' 93' ' ' CYS . . . -149.51 162.78 39.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.594 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 37.4 m0 -90.76 143.05 27.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 107.976 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.508 HG12 ' H ' ' A' ' 41' ' ' ASP . 4.8 t -116.19 -128.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.508 ' H ' HG12 ' A' ' 40' ' ' VAL . 8.0 m-20 -58.74 -177.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.57 1.169 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.3 m -69.95 89.87 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 110.378 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.52 -7.51 34.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.556 1.16 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.494 ' CG2' ' HB2' ' A' ' 41' ' ' ASP . 98.6 t -95.79 138.11 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 46' ' ' ALA . 2.3 tt -133.14 144.58 50.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.423 ' N ' HD23 ' A' ' 45' ' ' LEU . . . -126.75 122.0 33.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -95.18 159.5 14.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.354 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 32.6 t-20 -112.05 93.29 20.88 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.407 1.067 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.96 39.58 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -129.25 -0.54 5.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -46.99 -54.0 11.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.354 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 1.2 m-85 63.64 -54.04 0.22 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.578 1.174 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 51' ' ' ASP . 3.4 m -32.81 150.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.964 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.6 p -145.95 141.97 28.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.701 HG23 ' HB ' ' A' ' 65' ' ' THR . 9.0 p -132.81 175.75 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.646 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -124.72 157.3 35.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 0.0 110.434 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.781 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -88.11 155.02 20.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 60' ' ' ASN . 12.8 p30 -117.89 121.23 40.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.65 -91.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.607 ' N ' ' O ' ' A' ' 58' ' ' ASP . 3.6 m-20 -39.73 -44.64 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.781 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 124.31 5.3 7.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 13.8 m -80.27 133.2 35.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 0.786 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.889 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -66.98 158.16 31.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.7 p -159.02 101.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.701 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.57 173.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 9.5 m -86.66 122.0 29.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.843 HD22 HG11 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -113.18 144.93 41.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.81 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -84.99 115.76 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.029 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.7 t -84.66 61.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.81 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.4 OUTLIER -44.0 133.7 4.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 2.4 ttm180 -90.11 -71.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.432 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 5.7 p -99.83 152.74 19.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.988 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CZ ' ' CB ' ' A' ' 88' ' ' CYS . 1.8 p90 179.11 -169.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -98.1 76.08 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.84 140.62 38.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 4.3 t80 -122.04 151.89 40.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 0.78 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 1.6 mm? -62.01 -59.29 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER 159.33 -23.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 0.6 OUTLIER 168.92 53.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.55 -52.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.527 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -172.54 173.19 4.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 110.389 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.527 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.3 OUTLIER -99.74 177.2 5.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.555 ' CG ' ' N ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -156.76 -62.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.555 ' N ' ' CG ' ' A' ' 83' ' ' TRP . . . -34.19 -86.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.425 1.078 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 85' ' ' THR . 1.0 OUTLIER 36.41 32.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.775 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 179.42 -165.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.381 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.775 ' N ' HG13 ' A' ' 86' ' ' VAL . 1.7 m-20 -52.42 120.26 5.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -91.62 -21.68 20.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.162 . . . . 0.0 108.394 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.587 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 3.3 t -50.77 -27.84 8.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -23.66 66.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.681 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -111.94 41.45 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.681 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 13.14 73.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.728 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . 2.0 m -70.93 -175.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 108.265 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.536 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 3.5 pm0 -150.92 163.11 39.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.208 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.479 HG12 HD12 ' A' ' 110' ' ' ILE . 7.3 p -125.46 102.4 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 5' ' ' ALA . . . -113.46 163.39 12.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.495 HD23 ' HB2' ' A' ' 5' ' ' ALA . 0.9 OUTLIER -93.58 146.56 23.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.33 136.33 45.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -99.35 176.23 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.88 37.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.08 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.42 -40.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.228 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.569 ' O ' ' ND2' ' A' ' 103' ' ' ASN . . . -80.63 -58.8 2.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.6 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.0 OUTLIER 39.79 -166.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.6 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 95.32 149.74 26.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -74.93 142.53 28.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.435 1.755 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 3.3 mt-10 165.15 41.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.254 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.85 -167.97 42.97 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.536 ' O ' ' CB ' ' A' ' 94' ' ' GLN . 14.0 p -104.44 134.1 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.68 119.1 20.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.245 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.749 HD11 ' CG2' ' A' ' 7' ' ' VAL . 49.1 mt -122.85 146.83 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.553 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -80.78 98.43 7.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.035 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.029 ' CE2' HG12 ' A' ' 69' ' ' VAL . 70.9 m-85 -81.84 10.33 6.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.502 ' N ' ' OG1' ' A' ' 89' ' ' THR . 1.4 m-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.346 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.858 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -37.39 -55.27 1.91 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.858 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.6 Cg_endo -74.95 -159.31 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.428 1.752 . . . . 0.0 111.037 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.762 HG22 ' C ' ' A' ' 3' ' ' PRO . 0.2 OUTLIER 167.72 173.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.383 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.957 ' CB ' HD23 ' A' ' 97' ' ' LEU . . . -99.33 171.15 8.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.66 ' HA ' HG21 ' A' ' 108' ' ' VAL . 81.4 p -154.1 156.46 37.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.976 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.5 t -107.68 132.62 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.625 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.63 -62.74 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.369 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.976 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.0 -160.63 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.567 1.825 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.616 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.8 t 159.99 28.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.479 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 17.1 p 179.5 141.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.059 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 61.93 36.25 92.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.944 HD12 HG21 ' A' ' 110' ' ' ILE . 5.2 mt -92.04 -145.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.86 159.42 39.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.439 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 10.4 p-10 -64.67 99.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.498 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 98.07 29.24 7.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 17' ' ' THR . 0.7 OUTLIER -71.45 96.8 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.403 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.6 t -81.25 104.2 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.789 HG21 ' CG ' ' A' ' 9' ' ' PRO . 30.6 m -127.62 171.06 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -60.05 138.89 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.93 ' CG2' HG13 ' A' ' 7' ' ' VAL . 20.5 t -142.29 144.01 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -146.33 157.65 43.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.77 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 102.48 177.52 27.31 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 155.06 -154.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.33 -2.47 7.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.492 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 5.4 tp 51.44 69.11 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.76 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.621 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -93.73 -94.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 167.83 95.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 44.5 43.05 7.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.605 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 91.4 m -115.08 155.78 26.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 0.795 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.05 148.51 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.807 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 4.9 m-85 -151.15 81.18 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.69 132.51 45.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.546 HG12 ' OD2' ' A' ' 51' ' ' ASP . 95.5 t -76.46 148.54 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -131.0 -167.42 11.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 175.53 111.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 0.758 . . . . 0.0 110.338 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 7.4 m -110.24 175.77 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.585 ' CB ' ' SG ' ' A' ' 93' ' ' CYS . . . -129.75 92.19 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.373 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.435 ' O ' ' O ' ' A' ' 91' ' ' ALA . 22.6 t90 -73.33 105.81 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 107.999 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.808 HG22 ' CB ' ' A' ' 91' ' ' ALA . 22.0 t -107.98 -25.63 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.521 ' HB3' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -172.86 -172.82 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.8 m -54.11 -55.94 22.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.59 32.62 6.12 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.811 HG13 ' CZ2' ' A' ' 83' ' ' TRP . 9.6 t -128.04 44.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.773 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.493 ' O ' HD23 ' A' ' 77' ' ' LEU . 5.8 tt -107.68 110.97 22.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.716 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -97.73 110.34 22.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -84.15 144.83 28.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 108.31 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 46.6 t30 -117.69 80.32 13.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 23.22 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -116.66 2.1 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.546 ' OD2' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -36.59 -34.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.603 1.189 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER 76.49 -55.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.972 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.466 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 3.5 m -38.61 154.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.938 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -155.91 145.61 21.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.601 ' CG1' HD11 ' A' ' 97' ' ' LEU . 2.4 p -141.02 168.33 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.551 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -115.44 152.7 32.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.47 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.807 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -78.72 166.63 22.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.618 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.3 p30 -126.69 120.02 28.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.505 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.78 -90.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.618 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.0 m-20 -36.49 -43.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.56 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 121.09 10.58 6.71 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -89.21 131.51 35.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 109.971 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -64.42 163.9 12.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.402 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 10.1 p -160.05 109.28 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.599 HG23 ' N ' ' A' ' 66' ' ' SER . 0.4 OUTLIER 174.69 176.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.406 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.599 ' N ' HG23 ' A' ' 65' ' ' THR . 91.9 p -88.54 121.74 31.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.777 HD22 HG11 ' A' ' 21' ' ' VAL . 11.0 mp -109.57 145.51 36.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.655 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 7.5 t -91.29 101.79 14.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.966 HG11 HD12 ' A' ' 110' ' ' ILE . 1.8 t -74.74 62.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.655 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.2 OUTLIER -50.2 137.28 18.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 110.297 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.602 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 4.8 ttm180 -113.71 -71.93 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 110.267 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.5 p -59.77 84.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.653 ' CD2' ' N ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -177.79 -176.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.653 ' N ' ' CD2' ' A' ' 73' ' ' PHE . 3.2 mt-10 -159.44 162.62 35.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.578 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -127.99 -159.55 10.1 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.411 1.07 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 4.4 m-85 -102.46 142.23 33.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 0.811 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.678 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 5.4 mt -72.7 -39.6 66.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.376 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.678 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 5.9 t80 88.05 1.69 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -163.94 24.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.45 33.28 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.571 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 0.5 OUTLIER 65.13 175.28 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 0.784 . . . . 0.0 110.381 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.59 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 10.3 ptt180 -99.27 161.34 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.249 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.811 ' CZ2' HG13 ' A' ' 44' ' ' VAL . 20.4 m95 -88.35 -53.46 4.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.478 ' C ' ' HB2' ' A' ' 74' ' ' GLU . . . 129.08 -100.2 0.5 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.564 HG23 ' HA ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -150.93 102.09 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 110.407 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.53 ' CG1' ' OE2' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -135.26 166.75 27.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.37 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.429 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.4 OUTLIER -56.69 114.32 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.56 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.7 m -70.05 -40.86 74.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 108.281 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.1 t -44.4 -28.2 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 110.421 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.3 m -70.15 -26.32 63.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.808 ' CB ' HG22 ' A' ' 40' ' ' VAL . . . -124.31 11.03 8.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 40.92 72.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.585 ' SG ' ' CB ' ' A' ' 38' ' ' ALA . 23.4 m -54.01 173.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.276 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.494 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -138.46 150.19 46.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.48 HG11 HG21 ' A' ' 7' ' ' VAL . 2.7 p -122.89 121.45 63.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.431 ' CA ' ' HA2' ' A' ' 107' ' ' GLY . . . -129.61 178.99 17.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.957 HD23 ' CB ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -101.86 152.21 21.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.5 148.09 47.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.036 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.93 -179.69 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.55 -17.2 12.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.39 -7.48 53.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 82.48 1.67 90.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.406 1.066 . . . . 0.0 110.943 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.47 ' O ' ' O ' ' A' ' 102' ' ' GLY . 30.6 t30 35.14 -154.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -126.05 179.48 16.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.404 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -75.07 135.49 19.02 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.462 1.769 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.2 OUTLIER 172.23 38.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.431 ' HA2' ' CA ' ' A' ' 96' ' ' GLY . . . -69.77 -179.05 23.51 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.66 HG21 ' HA ' ' A' ' 6' ' ' THR . 5.2 t -104.15 119.02 52.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.44 114.53 6.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.966 HD12 HG11 ' A' ' 69' ' ' VAL . 6.0 mt -113.05 141.43 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -94.53 103.89 15.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.987 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.803 ' HE2' HG12 ' A' ' 69' ' ' VAL . 2.1 m-85 -85.12 126.84 33.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 1.009 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -69.14 -60.43 4.23 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 1.009 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.4 Cg_endo -75.04 116.77 4.68 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.96 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 179.8 153.65 0.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.441 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.78 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . -92.25 173.99 7.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.969 ' O ' HG13 ' A' ' 21' ' ' VAL . 33.2 p -151.07 152.7 33.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.451 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.626 HG13 ' HD2' ' A' ' 9' ' ' PRO . 3.1 t -97.97 115.51 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.642 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -32.24 -64.27 0.24 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HB2' HD21 ' A' ' 13' ' ' LEU . 18.5 Cg_endo -74.91 -78.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.774 ' HA ' HG23 ' A' ' 110' ' ' ILE . 26.4 t 70.24 31.06 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.971 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.48 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 78.2 p -171.89 131.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.61 34.54 63.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.806 HD12 HG11 ' A' ' 69' ' ' VAL . 9.9 mt -90.6 -148.2 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 109.385 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -166.86 163.95 16.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.963 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.421 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 17.8 p-10 -61.3 87.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.456 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 110.39 34.36 2.31 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.524 1.14 . . . . 0.0 111.053 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.9 HG22 HG13 ' A' ' 19' ' ' VAL . 1.5 m -86.43 94.69 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.407 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.5 t -75.73 98.75 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.9 HG13 HG22 ' A' ' 17' ' ' THR . 13.1 m -115.64 174.24 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -72.88 148.17 44.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.969 HG13 ' O ' ' A' ' 6' ' ' THR . 76.3 t -145.15 140.67 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -136.46 157.63 46.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.91 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 100.28 -172.53 24.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.428 1.08 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.762 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 141.56 -153.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.39 -6.02 7.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.463 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER 46.95 64.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 0.783 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 21.4 mt-30 -90.46 -100.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.249 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 174.14 80.39 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.632 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . 73.13 22.59 78.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 31' ' ' ALA . 90.1 m -90.04 174.04 7.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 110.377 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.515 ' N ' HG22 ' A' ' 30' ' ' THR . . . -93.62 149.09 21.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.589 ' O ' HD12 ' A' ' 97' ' ' LEU . 9.9 m-85 -144.0 78.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -49.62 127.77 16.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.653 HG21 ' CB ' ' A' ' 53' ' ' SER . 58.2 t -50.8 146.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.555 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -114.89 -90.27 1.71 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.549 1.156 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.922 ' NE2' HG22 ' A' ' 95' ' ' VAL . 0.9 OUTLIER 72.58 113.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.783 . . . . 0.0 110.35 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 43.9 m -129.36 -179.3 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 108.324 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -155.32 177.03 11.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.512 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 2.2 t-105 -111.16 136.24 50.51 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.974 HG13 ' CH2' ' A' ' 83' ' ' TRP . 43.0 t -71.53 -101.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.749 ' N ' HG12 ' A' ' 40' ' ' VAL . 2.9 t0 -173.74 35.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.872 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.0 OUTLIER 178.66 84.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 110.414 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 42' ' ' THR . . . 34.4 33.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 42' ' ' THR . 39.6 t -122.76 144.39 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -122.17 120.3 33.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -105.92 110.59 22.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.533 ' O ' ' CA ' ' A' ' 75' ' ' GLY . 1.1 m -78.36 173.62 12.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 108.261 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 8.3 t-20 -119.45 72.57 14.43 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.503 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.02 39.93 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -128.1 -2.67 5.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -46.9 -59.35 3.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.069 . . . . 0.0 109.266 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.422 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 70.81 -8.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.653 ' CB ' HG21 ' A' ' 34' ' ' VAL . 8.5 m -80.3 165.74 22.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.976 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 10.4 p -152.46 139.79 19.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.879 HG23 ' HB ' ' A' ' 65' ' ' THR . 8.3 p -122.45 155.82 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -114.33 139.86 49.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.632 ' HB3' ' H ' ' A' ' 29' ' ' GLY . . . -59.92 -176.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.692 ' O ' ' C ' ' A' ' 59' ' ' ALA . 54.2 p30 -142.29 131.94 24.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.692 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -7.94 77.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.689 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.0 t30 151.54 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.558 ' CA ' ' HB1' ' A' ' 57' ' ' ALA . . . 124.06 -14.13 7.95 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.39 1.056 . . . . 0.0 111.035 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -70.32 130.52 42.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.908 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.91 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.83 162.97 25.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.2 p -164.96 112.31 1.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.879 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.11 172.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.395 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 90.7 p -89.06 116.31 27.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.163 . . . . 0.0 109.977 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.698 ' HB2' HG21 ' A' ' 21' ' ' VAL . 4.8 mp -101.94 151.84 21.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.412 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -85.3 96.64 9.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.347 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.108 HG12 ' CE2' ' A' ' 112' ' ' PHE . 6.3 t -76.4 65.44 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.527 ' NH2' ' CB ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -67.38 148.29 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.607 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 7.3 ttm180 -118.4 -73.52 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -67.1 102.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.607 ' CD2' ' O ' ' A' ' 71' ' ' ARG . 10.9 p90 -165.46 -177.59 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HB3' ' N ' ' A' ' 85' ' ' THR . 1.1 pt-20 -123.6 114.12 19.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -86.97 -166.21 42.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.55 ' CE2' ' O ' ' A' ' 80' ' ' GLY . 2.8 m-85 -133.15 137.32 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.617 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -39.03 -59.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.617 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER 153.32 -20.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.977 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.41 -29.61 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.55 ' O ' ' CE2' ' A' ' 76' ' ' PHE . . . 155.2 -22.63 0.58 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.12 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 m -61.9 136.24 57.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 110.461 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.45 164.47 26.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.974 ' CH2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -104.76 -86.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 107.994 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 163.97 141.13 3.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 85' ' ' THR . 10.2 t -69.07 73.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.413 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 87' ' ' ASP . 11.5 p -109.52 163.64 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.601 1.188 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.422 ' O ' ' HB ' ' A' ' 90' ' ' THR . 5.8 m-20 -77.21 106.17 8.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.654 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -43.16 -33.93 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.359 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.424 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 4.0 m -50.13 -25.93 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.2 m -74.58 -24.33 58.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.44 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.586 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -127.16 27.77 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.586 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 24.86 59.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.251 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.616 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 15.5 p -48.04 177.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.464 ' HB2' ' C ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -136.28 159.88 40.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.015 HG21 HG13 ' A' ' 69' ' ' VAL . 2.8 t -125.51 116.05 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 106' ' ' GLU . . . -135.63 -171.14 12.28 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.561 1.163 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.78 HD23 ' HB2' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -110.91 152.3 26.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 0.753 . . . . 0.0 109.26 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.0 126.58 34.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.564 ' OD1' ' CA ' ' A' ' 102' ' ' GLY . 0.2 OUTLIER -97.18 -174.45 2.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.69 36.14 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.13 -55.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.564 ' CA ' ' OD1' ' A' ' 99' ' ' ASP . . . -78.07 -12.82 83.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.457 ' N ' ' OD1' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -37.56 157.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.31 -128.81 7.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.083 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 116.39 4.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.403 ' CB ' ' HA3' ' A' ' 96' ' ' GLY . 19.4 mm-40 -101.77 -70.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' A' ' 108' ' ' VAL . . . 122.99 -157.45 17.51 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.155 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.818 ' O ' HD12 ' A' ' 110' ' ' ILE . 15.2 t 82.39 71.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.326 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.09 111.83 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 108' ' ' VAL . 1.8 mp -103.83 144.78 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -87.77 100.94 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.108 ' CE2' HG12 ' A' ' 69' ' ' VAL . 41.1 m-85 -91.28 136.53 33.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 53.9 t30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 179.982 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 1.019 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -85.21 -60.62 0.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 1.019 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -74.91 164.56 33.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.445 1.761 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.952 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER 178.51 154.9 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.497 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -103.76 166.55 10.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.932 ' HA ' HG11 ' A' ' 108' ' ' VAL . 3.4 p -153.17 159.74 42.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.912 HG23 HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -103.32 133.29 47.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.602 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.07 -61.55 0.48 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 0.0 110.425 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.602 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.06 -86.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.83 ' HA ' HG23 ' A' ' 110' ' ' ILE . 1.1 p 87.55 22.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.509 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 13.9 p -171.29 134.91 0.92 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.908 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.81 37.26 83.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.753 HD12 HG11 ' A' ' 69' ' ' VAL . 2.5 mt -77.16 -146.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 0.706 . . . . 0.0 109.379 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.473 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.7 t -165.78 162.22 18.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.413 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 8.0 p-10 -55.44 87.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.438 1.086 . . . . 0.0 109.357 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.492 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 96.78 42.24 3.39 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 17' ' ' THR . 1.0 OUTLIER -73.43 89.0 1.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 110.391 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.3 t -76.58 85.38 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.56 HG23 HG22 ' A' ' 7' ' ' VAL . 17.1 m -108.69 172.18 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -70.03 146.47 51.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.912 HG23 HG23 ' A' ' 7' ' ' VAL . 1.3 t -139.98 148.2 23.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -143.61 151.04 39.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.777 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 103.68 -172.68 21.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 144.65 -154.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.72 -3.08 8.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER 46.69 59.65 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 0.789 . . . . 0.0 109.298 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.612 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.8 mm-40 -80.64 -97.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.432 1.083 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 169.03 102.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.53 25.71 2.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.64 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 94.9 m -97.47 166.73 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.69 147.28 33.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.552 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 4.1 m-85 -146.12 78.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.47 138.46 46.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.746 HG21 ' CB ' ' A' ' 53' ' ' SER . 34.9 t -57.49 159.39 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.565 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -121.76 -88.8 0.98 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.577 ' CB ' ' NH2' ' A' ' 70' ' ' ARG . 3.6 tp60 73.64 105.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 0.729 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.565 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 15.9 m -122.56 -179.36 4.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 108.339 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -145.25 99.47 3.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.722 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -62.81 148.37 47.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.807 HG11 ' CZ2' ' A' ' 83' ' ' TRP . 14.9 t -132.24 -123.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB2' HG21 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -57.66 177.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.3 m -67.17 90.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.1 -19.35 15.28 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.018 HG13 HD11 ' A' ' 77' ' ' LEU . 44.1 t -78.42 123.96 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 2.4 tt -134.82 125.32 26.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.741 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -110.27 93.97 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.565 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -75.48 156.33 35.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.246 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.54 ' OD1' ' CE2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -116.06 80.15 8.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 180.0 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.95 31.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -123.23 0.16 8.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.632 ' C ' ' H ' ' A' ' 53' ' ' SER . 1.7 p-10 -38.61 -39.91 0.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.601 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 3.0 m-85 65.23 -15.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.746 ' CB ' HG21 ' A' ' 34' ' ' VAL . 27.7 m -79.65 162.07 25.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.4 p -157.5 148.29 21.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 109.932 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.641 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -134.98 164.73 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.505 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 2.0 m -112.64 151.35 30.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.812 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -84.62 153.71 23.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.58 ' O ' ' N ' ' A' ' 60' ' ' ASN . 3.5 p30 -117.18 118.77 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.47 -91.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.7 m-20 -40.57 -43.83 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.812 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 125.81 5.41 6.39 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.465 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -72.39 127.7 33.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 109.98 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -77.01 149.88 35.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.449 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 51.8 p -144.06 109.1 4.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.502 ' CG2' ' HB ' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -179.49 167.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.443 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 93.0 p -89.7 130.4 35.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.958 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.848 HD22 HG11 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -114.34 150.71 34.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.467 ' O ' ' OE1' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -90.95 97.63 11.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.094 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.5 t -75.75 63.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.577 ' NH2' ' CB ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -51.54 144.45 10.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.235 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 88' ' ' CYS . 8.7 tmm_? -112.09 -60.88 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.9 p -74.89 88.82 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.632 ' CD2' ' N ' ' A' ' 74' ' ' GLU . 0.4 OUTLIER -178.9 -169.68 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.868 ' HG2' HG12 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -158.68 160.34 36.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.578 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -114.69 -162.61 14.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.588 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 3.7 m-85 -112.56 139.17 48.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.018 HD11 HG13 ' A' ' 44' ' ' VAL . 1.2 mm? -51.22 -47.7 62.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.497 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.7 t80 75.63 16.38 2.53 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -164.79 28.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.408 ' C ' ' OG1' ' A' ' 81' ' ' THR . . . 178.91 -64.21 0.08 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.678 HG22 ' H ' ' A' ' 82' ' ' ARG . 7.5 m -156.74 -145.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 0.797 . . . . 0.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.678 ' H ' HG22 ' A' ' 81' ' ' THR . 1.0 OUTLIER -142.86 150.61 40.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.807 ' CZ2' HG11 ' A' ' 40' ' ' VAL . 66.5 m95 -81.07 -71.15 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.409 ' C ' ' HB2' ' A' ' 74' ' ' GLU . . . 129.26 -103.74 0.61 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER -148.06 99.66 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.78 . . . . 0.0 110.381 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.868 HG12 ' HG2' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -125.0 174.67 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.42 ' H ' HG22 ' A' ' 86' ' ' VAL . 61.9 m-20 -77.47 102.34 6.85 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.904 ' O ' HG22 ' A' ' 89' ' ' THR . 2.8 t -71.46 -142.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 108.301 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.904 HG22 ' O ' ' A' ' 88' ' ' CYS . 10.9 t 56.16 -5.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.128 . . . . 0.0 110.465 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.724 ' H ' ' C ' ' A' ' 88' ' ' CYS . 0.7 OUTLIER -103.16 -34.99 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.36 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.722 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -98.58 -8.14 26.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 72.03 91.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.263 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.645 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -82.51 176.14 9.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 108.32 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.633 ' NE2' ' CE3' ' A' ' 39' ' ' TRP . 7.2 pm0 -143.16 156.07 44.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.858 ' O ' HG12 ' A' ' 108' ' ' VAL . 41.2 t -129.34 112.31 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' HA3' ' HA2' ' A' ' 107' ' ' GLY . . . -139.34 177.37 20.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.52 ' HG ' ' CG1' ' A' ' 55' ' ' VAL . 1.6 mm? -103.48 154.95 18.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.509 0.77 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.5 t -158.4 121.91 3.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.97 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.552 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -87.27 173.94 8.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.709 ' O ' ' HB2' ' A' ' 101' ' ' ALA . . . -85.9 24.97 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . 160.8 42.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -141.44 -52.66 0.04 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -135.15 -166.34 1.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 0.744 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -167.73 -126.79 0.86 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.429 1.08 . . . . 0.0 110.991 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.401 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -75.05 120.09 5.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 167.45 43.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 110.225 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.467 ' HA3' ' CG ' ' A' ' 94' ' ' GLN . . . -67.68 175.61 26.17 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.932 HG11 ' HA ' ' A' ' 6' ' ' THR . 3.3 p -102.03 123.97 55.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.541 0.789 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.27 108.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.83 HG23 ' HA ' ' A' ' 10' ' ' SER . 9.8 mt -113.34 148.98 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.509 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -91.0 107.05 18.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.094 ' CE2' HG12 ' A' ' 69' ' ' VAL . 45.8 m-85 -85.29 131.52 34.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 1.188 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 41.2 t30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 179.99 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.512 ' HB1' ' HA3' ' A' ' 25' ' ' GLY . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 1' ' ' ALA . . . -37.58 134.94 0.76 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 61.72 5.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.423 1.749 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.494 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 3.6 m -108.63 -6.83 15.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.483 1.115 . . . . 0.0 110.372 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.939 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -72.88 132.67 43.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.505 HG23 ' C ' ' A' ' 5' ' ' ALA . 52.1 p -156.01 152.6 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.134 HG22 HG22 ' A' ' 21' ' ' VAL . 2.1 t -106.91 118.41 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.793 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -21.44 -71.69 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.394 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.793 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.0 Cg_endo -75.12 -90.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.677 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.8 p 88.0 32.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.532 ' O ' HD23 ' A' ' 13' ' ' LEU . 81.1 p -167.87 146.99 4.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.964 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.88 40.98 50.91 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.899 HD12 HG11 ' A' ' 69' ' ' VAL . 11.9 mt -90.09 -148.77 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.448 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.4 OUTLIER -165.05 164.54 20.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.999 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.472 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 6.4 p-10 -58.2 101.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.87 35.47 6.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 69' ' ' VAL . 2.0 m -79.72 85.85 5.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 0.753 . . . . 0.0 110.459 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 8.0 t -73.22 100.79 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -118.21 170.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -66.31 124.82 23.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.134 HG22 HG22 ' A' ' 7' ' ' VAL . 45.0 t -122.39 143.08 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.217 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.16 162.71 34.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.905 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 83.68 -163.97 40.89 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.939 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . . . 143.65 -136.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.512 ' HA3' ' HB1' ' A' ' 1' ' ' ALA . . . -76.14 0.47 62.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 40.96 61.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.639 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.1 tp60 -86.01 -97.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 166.59 99.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 42.17 57.41 3.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.679 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -136.74 152.65 50.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 0.77 . . . . 0.0 110.414 179.948 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.24 146.73 14.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.781 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 1.6 m-85 -146.87 80.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -57.45 123.48 15.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.576 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 70.7 t -65.21 155.45 6.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -130.36 -157.96 9.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.597 ' CD ' HG22 ' A' ' 95' ' ' VAL . 1.0 OUTLIER 159.11 114.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.541 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 29.0 m -128.7 175.86 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 108.327 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.588 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -130.94 138.61 49.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.898 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -104.87 109.68 21.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 107.997 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.938 HG11 ' CZ2' ' A' ' 83' ' ' TRP . 76.8 t -84.31 -104.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.692 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -92.58 35.39 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 69.45 -58.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 42' ' ' THR . . . -65.36 -16.68 63.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.529 HG12 ' HE1' ' A' ' 83' ' ' TRP . 3.5 t -120.77 122.7 68.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.588 HD23 ' O ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -126.1 121.53 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.355 1.034 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.867 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -98.9 95.84 7.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.541 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -73.35 156.05 38.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 108.347 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 24.8 t-20 -113.93 89.15 15.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -74.92 34.86 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.526 1.803 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -135.06 6.87 3.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.235 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.503 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -39.69 -46.18 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.19 -59.67 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.576 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.7 m -31.88 145.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.0 p -155.39 141.0 17.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.614 1.196 . . . . 0.0 109.954 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.83 HG21 ' HB ' ' A' ' 65' ' ' THR . 0.7 OUTLIER -143.2 -163.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.655 ' N ' HG13 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -139.24 170.25 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.406 179.935 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.781 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -92.96 160.46 14.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.662 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.8 p30 -119.49 118.3 30.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 33.02 -88.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.253 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.662 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.1 m-20 -40.68 -45.51 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.767 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 124.33 4.71 7.55 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.066 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -81.51 140.41 34.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.987 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.905 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -82.39 161.12 22.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.456 ' O ' ' HB ' ' A' ' 65' ' ' THR . 79.7 p -158.77 105.86 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.024 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.83 ' HB ' HG21 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.43 170.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.456 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.7 m -85.79 125.14 33.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.817 HD22 HG11 ' A' ' 21' ' ' VAL . 8.6 mp -115.51 141.24 48.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.361 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.649 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 6.7 t -80.47 106.86 12.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.156 HG12 ' CE2' ' A' ' 112' ' ' PHE . 4.5 t -75.99 65.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.649 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -47.35 139.02 6.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.934 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.472 ' HB3' ' HA ' ' A' ' 15' ' ' ASP . 7.0 ttp180 -109.1 -74.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 p -88.18 116.44 26.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.941 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 84' ' ' GLY . 26.2 p90 -156.44 -173.79 4.65 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 74' ' ' GLU . 4.4 tm-20 -113.5 93.79 4.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.533 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -94.87 148.74 19.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.68 ' CZ ' ' HA ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -110.29 138.46 46.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 0.766 . . . . 0.0 110.978 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 9.9 mp -37.62 -64.22 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.68 ' HA ' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER 159.34 -26.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 111.031 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 1.6 t70 173.35 65.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.14 -54.89 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.571 1.169 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -153.83 166.61 32.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 110.408 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.474 ' N ' ' CG2' ' A' ' 81' ' ' THR . 3.7 ptt85 -122.62 143.2 49.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.938 ' CZ2' HG11 ' A' ' 40' ' ' VAL . 60.5 m95 -73.36 -103.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 164.52 174.88 34.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.425 1.078 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.9 m -63.96 69.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.366 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 84' ' ' GLY . 9.5 p -109.77 165.0 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.19 112.16 16.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.54 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.2 p -67.36 -29.02 68.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 108.27 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.403 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -47.03 -23.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.451 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.404 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -75.12 -24.72 58.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.424 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.898 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -123.42 10.93 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.607 1.192 . . . . 0.0 109.308 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 43.33 91.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.634 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 1.7 p -70.99 -170.74 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 108.328 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 17.1 pm0 -145.08 149.18 34.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.636 HG21 ' HA ' ' A' ' 69' ' ' VAL . 87.5 t -126.64 114.35 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -132.33 157.74 22.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.409 1.068 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.693 ' CD2' HG12 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -92.08 151.97 20.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.763 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -134.85 146.02 48.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -100.05 174.14 6.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.94 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.66 36.13 0.79 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.53 1.143 . . . . 0.0 109.22 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.11 -40.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.578 ' O ' ' ND2' ' A' ' 103' ' ' ASN . . . -81.84 -55.76 3.08 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.584 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.0 OUTLIER 38.61 -164.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.801 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.584 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 94.92 176.15 38.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.56 42.6 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -109.64 -67.2 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.99 18.29 5.59 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 108' ' ' VAL . 3.5 t -76.25 75.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.02 112.85 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 1.009 HG21 HG11 ' A' ' 69' ' ' VAL . 6.7 mt -111.07 146.57 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.224 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.516 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -87.7 105.53 17.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.156 ' CE2' HG12 ' A' ' 69' ' ' VAL . 17.6 m-85 -96.62 132.57 42.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.342 179.995 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.937 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . -73.34 -176.62 0.48 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.415 1.072 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 1.025 ' O ' HG23 ' A' ' 4' ' ' THR . 18.5 Cg_endo -75.02 -104.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' THR . . . . . 1.025 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 170.16 174.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.374 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . . . -104.97 170.62 7.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.765 ' O ' HG13 ' A' ' 21' ' ' VAL . 34.4 p -152.06 156.04 39.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.048 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.3 t -107.75 136.54 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.543 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.06 -59.29 0.81 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.943 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.048 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.9 -161.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.78 . . . . 0.0 111.045 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.0 t -152.22 20.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.946 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.607 ' O ' HD12 ' A' ' 13' ' ' LEU . 51.9 p -171.78 60.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.623 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -40.6 -26.98 0.15 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.63 1.206 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 11' ' ' SER . 1.2 mt 50.61 -82.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.623 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -40.65 117.22 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.525 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 65.7 t0 -53.17 108.74 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.435 1.084 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 90.36 34.58 7.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.74 ' O ' HG23 ' A' ' 69' ' ' VAL . 1.8 m -64.28 85.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.794 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.554 HG22 ' CB ' ' A' ' 68' ' ' THR . 3.3 t -70.8 88.6 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.557 1.161 . . . . 0.0 109.242 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -113.0 170.24 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.383 179.851 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -61.84 141.03 58.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.872 HG22 HG13 ' A' ' 7' ' ' VAL . 66.8 t -142.09 140.8 29.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.1 160.62 39.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.201 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.872 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 92.68 -171.24 33.03 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.778 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 147.0 -144.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 0.777 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.414 ' C ' ' HD2' ' A' ' 3' ' ' PRO . . . -71.05 0.96 27.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.578 HD11 ' OD1' ' A' ' 60' ' ' ASN . 1.3 tp 43.78 64.15 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.399 0.706 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.708 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 11.7 tp60 -79.78 -99.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 161.26 74.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.75 69.25 1.43 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 m -155.43 160.35 40.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 0.743 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.2 151.76 22.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.803 ' HB3' HD22 ' A' ' 97' ' ' LEU . 1.1 m-85 -151.46 80.02 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.9 OUTLIER -58.97 129.89 44.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.566 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 27.5 t -64.95 160.52 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -150.54 153.01 24.78 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.874 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -148.67 121.18 8.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.33 179.948 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 25.2 m -125.52 178.41 5.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.568 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -146.42 110.74 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -85.73 123.29 30.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 108.027 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.751 HG11 ' CZ2' ' A' ' 83' ' ' TRP . 79.1 t -110.3 -27.97 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.552 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -164.62 -165.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.6 m -60.88 -53.21 60.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 110.416 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.15 27.97 8.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.428 1.08 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.491 HG12 ' HB ' ' A' ' 40' ' ' VAL . 5.3 t -121.18 43.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 39' ' ' TRP . 1.5 tt -94.58 97.61 10.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.562 ' HB1' ' N ' ' A' ' 76' ' ' PHE . . . -87.79 110.45 20.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 m -85.99 162.03 18.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.562 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 15.3 t-20 -115.27 88.93 19.49 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 38.84 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -138.34 7.95 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.508 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -38.86 -42.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.49 -60.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.566 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.8 m -34.24 151.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.407 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 63.4 p -164.56 143.39 7.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.969 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.4 p -148.91 -156.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.728 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.2 m -142.14 168.79 18.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.585 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -78.3 -177.77 5.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.704 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.3 p30 -139.04 134.44 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.704 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.23 81.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.357 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.632 ' N ' ' O ' ' A' ' 58' ' ' ASP . 6.2 t30 147.59 -35.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.585 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 117.44 -4.53 17.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -78.52 131.28 36.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.962 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.872 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -77.56 164.94 24.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.7 p -162.17 113.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.007 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.969 ' HB ' HG21 ' A' ' 55' ' ' VAL . 0.4 OUTLIER 175.47 175.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.561 ' N ' HG23 ' A' ' 65' ' ' THR . 19.2 m -89.7 125.53 35.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.851 ' HB2' HG21 ' A' ' 21' ' ' VAL . 7.7 mp -113.83 136.29 53.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.559 ' O ' HG23 ' A' ' 68' ' ' THR . 7.4 t -82.57 100.54 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.297 -179.88 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.128 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.6 t -70.11 64.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.229 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.539 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -46.51 130.89 11.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 110.234 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.619 ' CG ' ' CG2' ' A' ' 89' ' ' THR . 2.3 ttm180 -90.7 -72.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.1 t -97.9 126.47 43.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.025 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.462 ' CD1' ' ND2' ' A' ' 48' ' ' ASN . 37.5 p90 -163.68 -174.7 3.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 74' ' ' GLU . 4.0 pt-20 -96.61 118.04 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.495 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -113.57 153.86 17.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.562 ' N ' ' HB1' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -145.47 142.02 28.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.78 . . . . 0.0 110.995 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.659 HD22 ' HB ' ' A' ' 81' ' ' THR . 11.2 mp -57.23 -61.95 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.615 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.4 t80 154.59 -27.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 t0 174.94 60.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.65 -61.64 0.05 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.659 ' HB ' HD22 ' A' ' 77' ' ' LEU . 18.8 m -135.62 171.45 14.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 0.728 . . . . 0.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 8.3 ptt180 -159.22 149.05 18.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.248 179.926 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.751 ' CZ2' HG11 ' A' ' 40' ' ' VAL . 94.2 m95 -93.85 -74.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 107.999 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.592 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 84.1 142.23 5.22 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 20.57 80.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 110.353 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.02 153.65 10.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' O ' ' HB ' ' A' ' 90' ' ' THR . 2.5 p30 -78.43 112.75 15.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . 0.6 OUTLIER -64.37 -25.74 68.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 108.341 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.619 ' CG2' ' CG ' ' A' ' 71' ' ' ARG . 4.7 p -50.57 -21.58 1.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.387 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -75.52 -23.27 56.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.376 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -130.89 18.26 5.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.476 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 33.82 80.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.613 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 1.7 p -54.49 -174.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 108.361 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.457 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 18.7 pm0 -144.59 144.16 31.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.032 ' O ' HG12 ' A' ' 108' ' ' VAL . 8.2 p -120.62 126.06 74.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.12 -168.86 11.39 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -126.13 149.15 49.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.333 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -141.53 154.61 45.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -102.49 177.56 4.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.21 22.18 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.32 -44.91 0.25 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -79.08 -52.87 4.71 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.451 ' O ' ' O ' ' A' ' 102' ' ' GLY . 17.6 t30 37.89 -158.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.743 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.419 ' H ' ' ND2' ' A' ' 103' ' ' ASN . . . 93.03 156.72 33.0 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.437 1.086 . . . . 0.0 111.017 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -75.04 143.78 29.33 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.7 mt-10 161.17 72.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.411 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -104.55 175.34 22.53 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 1.032 HG12 ' O ' ' A' ' 95' ' ' VAL . 7.2 p -98.39 120.31 47.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.519 0.776 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.4 114.43 3.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.674 HG21 HG11 ' A' ' 69' ' ' VAL . 25.3 mt -117.55 154.8 19.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.246 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.91 102.48 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.015 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.128 ' CE2' HG12 ' A' ' 69' ' ' VAL . 40.2 m-85 -93.06 162.7 13.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.565 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 19.0 t30 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.153 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.647 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 1' ' ' ALA . . . 80.76 163.45 0.12 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.916 ' O ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo -74.97 105.2 2.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.916 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -176.46 144.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.44 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 97' ' ' LEU . . . -104.14 150.82 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.904 ' HA ' HG21 ' A' ' 108' ' ' VAL . 5.6 p -148.4 158.88 44.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.803 ' CG2' HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -105.56 127.15 60.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.419 1.075 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.644 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -34.08 -62.5 0.37 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.806 ' HG2' HG21 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.05 -162.77 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.796 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.1 t 159.42 36.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.649 ' O ' HD23 ' A' ' 13' ' ' LEU . 6.6 t -166.95 138.79 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.94 25.85 46.57 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.575 1.172 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.727 HD12 HG21 ' A' ' 110' ' ' ILE . 6.1 mt -79.33 -95.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.76 . . . . 0.0 109.306 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.541 ' CB ' ' HB2' ' A' ' 71' ' ' ARG . 17.3 t 48.86 -171.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.941 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.501 ' N ' ' OG ' ' A' ' 14' ' ' SER . 20.9 t0 52.07 33.21 11.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 70' ' ' ARG . . . 57.31 44.93 93.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 111.042 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.937 HG23 HG13 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -54.5 88.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 110.42 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.4 t -72.18 76.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.937 HG13 HG23 ' A' ' 17' ' ' THR . 2.6 m -87.83 -170.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.374 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -92.73 138.76 31.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -126.66 142.78 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.52 153.82 45.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.943 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 100.61 -173.82 25.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.764 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 143.36 -159.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.46 -5.13 4.53 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.513 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 45.9 66.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.63 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 4.6 tp60 -88.57 -100.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 166.78 78.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.19 66.01 1.99 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -142.89 169.4 17.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.4 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.427 ' N ' HG23 ' A' ' 30' ' ' THR . . . -83.37 148.35 27.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.779 ' HB3' HD21 ' A' ' 97' ' ' LEU . 4.9 m-85 -145.13 76.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.49 141.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.791 HG13 ' CD1' ' A' ' 67' ' ' LEU . 2.3 t -79.04 150.53 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.534 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -123.9 -169.5 13.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 2.1 tp60 158.0 108.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 110.305 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.537 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 36.0 m -121.38 -179.45 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 108.284 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.954 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -143.84 97.69 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 1.033 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 2.2 t90 -61.28 125.12 22.62 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 41' ' ' ASP . 57.6 t -110.7 -104.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.468 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.5 t0 -60.17 -160.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 m -80.61 -37.58 30.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.32 27.44 6.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.006 HG13 HD13 ' A' ' 77' ' ' LEU . 39.7 t -125.86 127.76 71.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.786 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.721 HD12 ' CG ' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -136.35 99.53 4.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.809 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -69.81 89.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.537 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -74.14 158.68 33.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 108.263 -179.944 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 36.4 t30 -117.14 77.7 9.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.06 35.03 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -134.11 6.62 3.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -47.88 -47.54 31.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 10.3 m-85 71.93 -40.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.547 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.1 m -42.21 165.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 110.028 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.2 p -160.59 147.93 15.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.953 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.834 ' HB ' HG21 ' A' ' 65' ' ' THR . 1.4 p -135.31 164.9 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.479 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.7 m -127.66 152.8 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -67.09 -179.03 0.87 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.718 ' O ' ' N ' ' A' ' 60' ' ' ASN . 56.1 p30 -141.5 134.77 29.44 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.679 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -12.37 79.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.718 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.7 t30 151.3 -36.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.513 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 120.58 -13.05 10.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.6 OUTLIER -73.25 135.67 44.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.989 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.943 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -82.35 157.36 23.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.49 ' O ' ' HB ' ' A' ' 65' ' ' THR . 97.3 p -160.55 119.11 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.152 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.834 HG21 ' HB ' ' A' ' 55' ' ' VAL . 11.3 t -178.66 -138.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.658 ' N ' HG23 ' A' ' 65' ' ' THR . 41.5 m -138.7 139.9 38.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.791 ' CD1' HG13 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -118.78 137.01 53.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.729 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -87.11 92.5 9.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.01 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.9 t -68.14 66.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.729 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -61.79 131.78 50.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.568 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -94.58 -76.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.79 103.96 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.001 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.653 ' CE1' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -152.23 -179.72 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.461 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 1.2 pm0 -110.31 98.21 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.79 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -84.62 158.32 33.68 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.437 1.085 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 4.2 m-85 -119.91 137.26 54.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.006 HD13 HG13 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -36.33 -59.47 0.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.622 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.7 t80 152.65 -28.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 t0 175.2 63.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.01 -61.89 0.06 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.57 1.169 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 82' ' ' ARG . 98.1 m -136.84 173.9 11.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 0.76 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.559 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 5.7 ppt_? -131.12 130.66 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.809 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 16.9 m95 -61.74 -90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 110.44 151.56 12.94 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.771 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 16.07 77.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.575 0.809 . . . . 0.0 110.386 179.913 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.3 p -128.17 141.73 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.549 ' HB3' HG22 ' A' ' 89' ' ' THR . 0.4 OUTLIER -83.36 103.68 12.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.653 ' SG ' ' CE1' ' A' ' 73' ' ' PHE . 2.1 m -47.76 -40.72 21.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.549 HG22 ' HB3' ' A' ' 87' ' ' ASP . 6.6 t -51.71 -21.45 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 37.1 m -84.22 -19.0 34.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 1.033 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -134.53 25.84 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 28.72 86.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.954 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -52.12 -177.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 108.252 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.499 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 19.4 pm0 -156.08 139.1 15.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.752 HG13 HD12 ' A' ' 67' ' ' LEU . 1.9 t -105.92 127.81 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.55 171.61 23.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.852 HD13 ' N ' ' A' ' 98' ' ' SER . 1.1 tm? -90.51 154.47 19.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.852 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -134.21 99.94 4.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -108.61 -178.31 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.234 -179.949 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.57 18.03 4.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.359 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.13 51.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -176.29 -35.0 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.8 p30 -42.49 166.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.02 -156.63 18.24 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.6 4.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.582 1.832 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 170.48 40.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.43 ' HA3' ' CG ' ' A' ' 94' ' ' GLN . . . -81.78 164.92 45.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.904 HG21 ' HA ' ' A' ' 6' ' ' THR . 42.4 t -92.03 108.12 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.92 100.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.799 HG21 HG11 ' A' ' 69' ' ' VAL . 4.2 mt -106.93 150.9 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.509 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -89.51 108.38 19.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.035 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.01 ' CE2' HG12 ' A' ' 69' ' ' VAL . 8.9 m-85 -95.67 127.91 42.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.99 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.67 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.936 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . 163.65 -58.97 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.936 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.2 Cg_endo -75.07 62.31 5.89 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.42 1.748 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.75 HG22 ' C ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER 174.25 161.31 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.342 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 1.045 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -98.5 175.36 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.783 ' O ' HG13 ' A' ' 21' ' ' VAL . 22.5 p -152.26 153.71 34.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 110.419 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.837 HG22 HG22 ' A' ' 21' ' ' VAL . 43.8 t -110.44 122.56 65.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.764 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -33.16 -69.47 0.14 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.826 ' HB2' HD21 ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.02 169.06 23.44 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.774 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.428 ' HA ' HG12 ' A' ' 110' ' ' ILE . 1.5 p -155.18 19.7 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.453 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 27.2 p 174.38 150.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.495 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 73.89 35.39 54.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.926 HD12 HG11 ' A' ' 69' ' ' VAL . 5.5 mt -99.16 -151.06 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -160.03 164.37 33.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' CB ' ' HG3' ' A' ' 71' ' ' ARG . 22.0 t0 -63.16 92.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.421 ' H ' ' HA ' ' A' ' 70' ' ' ARG . . . 109.76 32.03 3.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.709 HG21 ' HB3' ' A' ' 13' ' ' LEU . 1.1 m -77.36 78.3 3.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.786 . . . . 0.0 110.374 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.655 HG12 ' HB3' ' A' ' 66' ' ' SER . 10.8 t -64.81 81.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.805 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -94.69 166.3 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -66.48 142.89 57.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.921 HG11 HD22 ' A' ' 67' ' ' LEU . 75.7 t -140.37 144.09 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -146.94 154.04 40.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.775 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 104.82 176.17 24.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 154.37 -160.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 0.725 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.09 -2.59 5.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.569 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.1 tp 47.41 68.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.664 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.1 tm0? -98.33 -86.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 164.53 84.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.645 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 71.72 6.9 64.1 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.427 ' OG1' ' OE1' ' A' ' 27' ' ' GLN . 98.3 m -65.42 167.85 8.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.407 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.523 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -91.36 145.03 24.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.809 ' HD2' ' HB2' ' A' ' 63' ' ' ALA . 14.8 m-85 -142.75 77.96 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -52.1 125.27 15.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.765 HG22 HD21 ' A' ' 97' ' ' LEU . 63.5 t -68.3 152.66 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.573 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -133.51 -174.6 13.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.661 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -178.48 113.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.52 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 4.0 m -122.47 168.86 11.6 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.484 1.115 . . . . 0.0 108.295 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -139.84 110.31 6.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.488 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -74.98 116.03 15.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 107.974 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 t -102.42 -26.99 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.476 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 2.1 t70 -172.45 54.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.639 HG22 ' N ' ' A' ' 43' ' ' GLY . 1.1 m 63.12 -85.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.639 ' N ' HG22 ' A' ' 42' ' ' THR . . . -72.52 -2.61 55.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.386 1.054 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 3.7 t -111.67 46.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -94.85 108.85 20.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.734 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -77.56 103.19 7.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.52 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -81.44 145.0 30.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 108.307 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.718 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 40.5 t30 -117.5 78.48 11.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.426 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -75.03 7.3 2.94 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' C ' ' N ' ' A' ' 52' ' ' PHE . . . -96.34 -2.14 46.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.61 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -38.39 -31.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.948 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.61 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 7.7 m-85 65.24 -52.11 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -36.5 149.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.041 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 p -153.76 139.31 17.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.919 HG23 ' HB ' ' A' ' 65' ' ' THR . 7.7 p -122.85 153.54 27.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 57' ' ' ALA . 1.6 m -108.56 150.22 27.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 110.484 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.645 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -73.1 174.71 7.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.0 p30 -135.17 121.6 20.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.525 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.19 -88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.241 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.658 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.7 m-20 -38.34 -46.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.591 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 129.37 -1.71 6.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 49.4 m -77.54 141.71 39.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.787 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.809 ' HB2' ' HD2' ' A' ' 32' ' ' TYR . . . -79.76 159.6 26.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.428 ' O ' ' HB ' ' A' ' 65' ' ' THR . 79.1 p -159.05 110.43 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.919 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.96 174.55 0.68 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.655 ' HB3' HG12 ' A' ' 18' ' ' VAL . 5.6 m -92.27 131.35 37.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.963 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.921 HD22 HG11 ' A' ' 21' ' ' VAL . 5.8 mp -113.56 134.49 54.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.834 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 1.1 t -75.82 97.82 4.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.926 HG11 HD12 ' A' ' 13' ' ' LEU . 23.2 t -70.53 60.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.834 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -65.13 143.79 57.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.669 ' HB3' ' CG ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -111.69 -72.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 96.1 p -66.11 82.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CE1' ' HB2' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -137.17 150.53 47.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 16.1 pt-20 -77.75 116.57 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.582 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -113.73 158.36 14.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.571 1.169 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 4.9 m-85 -116.17 136.46 52.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.621 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 11.2 mp -39.15 -61.99 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.621 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.0 t80 153.56 -19.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.24 -36.68 10.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.41 -28.32 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.579 ' HB ' HD22 ' A' ' 77' ' ' LEU . 25.9 m -58.18 129.73 43.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 0.799 . . . . 0.0 110.435 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -115.67 140.0 49.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.734 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 67.9 m95 -89.93 -75.83 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 107.955 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 112.93 139.17 7.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.749 ' O ' HG23 ' A' ' 85' ' ' THR . 5.2 t 31.26 52.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.9 t -75.65 109.36 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.553 ' O ' ' N ' ' A' ' 90' ' ' THR . 31.1 m-20 -69.39 95.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 1.296 ' SG ' ' SG ' ' A' ' 93' ' ' CYS . 62.0 m -43.21 -48.59 6.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 108.276 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 112' ' ' PHE . 2.4 t -49.32 -28.78 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.473 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.553 ' N ' ' O ' ' A' ' 87' ' ' ASP . 61.9 m -69.37 -28.24 66.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.596 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -138.74 36.86 2.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.596 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 23.33 65.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 1.296 ' SG ' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -53.65 -175.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 108.305 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.539 HE21 ' N ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -138.1 161.32 37.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.661 HG23 ' HG2' ' A' ' 36' ' ' GLN . 4.7 p -132.95 110.86 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.278 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -124.48 173.24 16.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.045 HD12 ' HB2' ' A' ' 5' ' ' ALA . 12.6 mt -96.1 153.57 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -132.43 121.21 23.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -101.4 178.77 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.15 32.01 0.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -155.96 -44.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -87.1 -47.88 4.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 111.058 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.557 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.1 p30 37.63 -164.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.519 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 69.99 -176.77 32.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.148 . . . . 0.0 110.961 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -166.26 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.8 -62.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 129.45 39.58 0.29 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.749 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.3 t -100.09 72.64 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 109.346 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.79 109.95 3.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.777 HG21 HD12 ' A' ' 13' ' ' LEU . 28.9 mt -110.42 143.87 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.453 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 1.1 m -93.57 108.7 20.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.823 ' CE2' HG12 ' A' ' 69' ' ' VAL . 15.5 m-85 -90.25 124.02 34.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.977 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.634 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.864 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . 168.05 -54.55 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.864 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 17.9 Cg_endo -75.08 132.54 15.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.476 1.777 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.748 HG22 ' C ' ' A' ' 3' ' ' PRO . 0.2 OUTLIER 166.96 171.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . -104.39 163.93 12.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.914 ' O ' HG13 ' A' ' 21' ' ' VAL . 18.2 p -149.45 155.12 39.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.975 HG13 HG22 ' A' ' 21' ' ' VAL . 2.3 t -96.71 135.9 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.54 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.6 -58.7 0.99 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.932 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.01 177.78 8.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.558 1.82 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.708 ' C ' HG23 ' A' ' 110' ' ' ILE . 24.0 p -156.03 16.88 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.44 ' N ' HG23 ' A' ' 110' ' ' ILE . 12.3 p 167.67 160.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.14 38.01 91.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.864 HD12 HG11 ' A' ' 69' ' ' VAL . 5.1 mt -91.65 -147.64 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.461 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -158.96 163.7 36.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.96 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.512 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 35.2 t0 -58.29 95.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.538 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 93.21 38.72 5.3 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.619 ' O ' HG22 ' A' ' 17' ' ' THR . 1.0 OUTLIER -67.85 84.26 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 0.737 . . . . 0.0 110.441 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 16' ' ' GLY . 5.7 t -73.8 93.38 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.236 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.672 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -115.9 178.27 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -75.95 142.5 41.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.975 HG22 HG13 ' A' ' 7' ' ' VAL . 53.7 t -141.68 142.86 28.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.93 163.01 34.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.82 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 101.05 175.82 29.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 154.28 -155.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.1 -0.68 7.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.4 tp 47.31 62.92 2.18 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.483 ' CB ' ' OH ' ' A' ' 32' ' ' TYR . 7.5 tt0 -94.98 -99.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.6 90.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.35 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.577 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 55.8 15.68 10.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 1.7 m -70.95 169.57 14.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -87.61 142.9 27.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.885 ' HB3' HD23 ' A' ' 97' ' ' LEU . 11.5 m-30 -142.76 77.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -52.63 130.37 32.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.592 ' CG2' HD11 ' A' ' 67' ' ' LEU . 41.5 t -60.28 154.35 4.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.532 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -113.13 -81.09 1.04 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.137 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.542 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 5.4 tp60 72.88 99.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.494 0.761 . . . . 0.0 110.342 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.506 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 35.7 m -121.72 -177.28 3.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 108.297 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.606 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . . . -162.86 135.97 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.716 ' CG ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.61 170.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.66 HG22 ' CD1' ' A' ' 83' ' ' TRP . 69.5 t -139.4 -103.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.649 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -86.14 -171.91 3.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.0 m -72.84 89.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.452 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.81 -4.05 42.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.558 ' CG1' ' CD1' ' A' ' 77' ' ' LEU . 12.4 t -107.64 129.78 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.716 HD12 ' CG ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -124.86 148.46 48.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.616 ' HB2' HG21 ' A' ' 40' ' ' VAL . . . -125.47 126.9 45.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.506 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.6 m -90.6 170.01 10.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 108.342 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 14.1 t30 -116.9 78.07 9.12 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.386 1.054 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.08 35.23 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.497 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -128.76 -0.22 5.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 1.2 p30 -54.34 -59.51 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.544 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER 78.51 -24.08 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.593 1.183 . . . . 0.0 110.991 179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.585 ' HB3' HG21 ' A' ' 34' ' ' VAL . 1.9 m -53.54 158.18 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 110.073 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 22.5 t -155.31 143.1 19.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.043 HG23 ' HB ' ' A' ' 65' ' ' THR . 8.6 p -129.63 149.08 33.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.4 m -105.41 148.69 26.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.577 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -75.4 174.33 9.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.6 p30 -135.12 121.37 20.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.533 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.98 -89.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.075 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.642 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.7 m-20 -36.56 -46.49 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.524 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.89 0.46 6.04 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -78.36 137.14 37.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.049 179.925 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.82 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -76.22 158.37 31.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.5 p -157.96 112.61 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' THR . . . . . 1.043 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.22 174.95 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 75.1 m -92.04 127.52 37.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.793 ' HB2' HG21 ' A' ' 21' ' ' VAL . 2.3 mp -111.35 136.84 49.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.7 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -84.69 89.44 7.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.618 1.199 . . . . 0.0 110.356 -179.921 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.127 HG12 ' CE2' ' A' ' 112' ' ' PHE . 4.7 t -64.15 67.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.7 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -56.09 137.71 50.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.427 1.079 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.536 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.2 OUTLIER -97.19 -73.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.212 -179.908 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.491 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 4.9 t -87.25 131.54 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.966 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 85' ' ' THR . 17.3 p90 -179.66 -165.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.625 ' HA ' ' H ' ' A' ' 85' ' ' THR . 1.2 pm0 -115.83 133.96 55.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.18 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.02 -175.14 15.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 1.3 m-85 -138.33 140.22 39.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 0.731 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.593 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 4.3 mm? -48.54 -60.95 2.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.593 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.4 t80 154.82 -20.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -97.28 -48.59 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.57 45.8 0.02 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.5 m -123.86 127.31 47.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -64.37 152.66 40.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.61 1.194 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.66 ' CD1' HG22 ' A' ' 40' ' ' VAL . 42.5 t-105 -167.67 -175.56 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 88.91 -103.99 3.04 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.748 ' O ' HG23 ' A' ' 85' ' ' THR . 0.8 OUTLIER 35.47 34.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.51 0.771 . . . . 0.0 110.456 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 72' ' ' SER . 0.3 OUTLIER -160.94 -177.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.498 ' HB3' HG22 ' A' ' 89' ' ' THR . 90.3 m-20 -78.05 97.51 5.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.536 ' SG ' ' O ' ' A' ' 71' ' ' ARG . 3.4 p -43.99 -28.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 108.294 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.534 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 1.5 t -49.92 -24.55 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.23 -24.4 63.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.53 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -115.74 38.29 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.53 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 30.41 58.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.696 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -44.0 165.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 108.264 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 12.5 pm0 -141.08 153.8 45.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.532 ' CG1' HD23 ' A' ' 67' ' ' LEU . 53.7 t -126.5 126.03 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -152.68 173.22 31.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.034 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -87.58 143.55 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 98' ' ' SER . . . . . 1.034 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -130.92 130.56 43.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.992 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -98.04 170.92 8.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.82 10.62 11.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.68 -41.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.548 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -83.86 -57.38 2.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.548 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.8 p30 35.21 -159.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 0.748 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.491 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 81.26 -153.95 34.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 118.75 5.39 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 106' ' ' GLU . 5.4 mp0 -78.5 -99.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 94' ' ' GLN . . . 160.43 -157.11 28.48 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.8 HG12 ' O ' ' A' ' 108' ' ' VAL . 2.5 t 68.72 75.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.55 110.88 9.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.829 HG21 HD11 ' A' ' 13' ' ' LEU . 35.3 mt -114.03 147.12 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.9 OUTLIER -87.09 118.34 26.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.929 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.127 ' CE2' HG12 ' A' ' 69' ' ' VAL . 2.3 m-85 -97.42 17.77 16.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 39.4 t30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 179.983 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.656 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -157.29 51.46 0.5 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.809 ' O ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.97 81.37 2.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.809 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -163.9 143.03 7.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 110.406 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.407 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -105.39 148.49 27.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.465 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 5.5 p -136.07 156.56 48.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.804 HG22 ' HD2' ' A' ' 9' ' ' PRO . 2.7 p -114.64 146.34 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.465 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -42.45 -54.9 7.45 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.138 . . . . 0.0 110.376 179.941 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.88 ' CG ' HG21 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.94 -159.59 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.064 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 p -173.94 -24.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.506 ' O ' HD23 ' A' ' 13' ' ' LEU . 74.4 p -164.9 169.8 16.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 61.97 30.26 74.91 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.83 HD12 HG11 ' A' ' 69' ' ' VAL . 6.2 mt -88.97 -146.16 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 0.785 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.13 158.01 39.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.537 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 7.6 p-10 -57.04 100.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.46 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 92.0 36.76 6.23 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -69.66 84.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.36 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 16' ' ' GLY . 3.6 t -70.08 99.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.88 HG21 ' CG ' ' A' ' 9' ' ' PRO . 31.4 m -124.67 179.23 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 65' ' ' THR . 10.4 mttt -72.53 150.35 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.934 HG11 ' HG ' ' A' ' 67' ' ' LEU . 3.8 p -140.03 151.32 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -152.12 144.27 23.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.756 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 102.45 178.36 27.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 154.59 -157.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.37 0.39 3.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.609 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 4.0 tp 48.61 62.92 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.604 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 39.8 tp60 -83.29 -98.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.178 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 170.04 92.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.51 35.04 6.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.601 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 1.1 m -106.99 166.33 10.69 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.543 0.79 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.465 ' N ' ' CG2' ' A' ' 30' ' ' THR . . . -70.65 146.45 49.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.617 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 2.3 m-85 -142.11 78.91 1.65 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.42 121.53 8.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.748 ' CG1' HD13 ' A' ' 67' ' ' LEU . 59.3 t -59.74 159.36 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.41 ' HA2' ' CG ' ' A' ' 51' ' ' ASP . . . -151.58 138.47 6.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.845 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -128.65 117.7 21.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 0.783 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 4.9 m -128.39 172.47 11.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.269 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.821 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -145.78 141.87 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.56 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -91.99 134.08 35.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 108.017 -179.96 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.671 ' HB ' HG12 ' A' ' 44' ' ' VAL . 59.0 t -99.51 -113.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.597 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -150.3 137.94 19.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 42' ' ' THR . . . . . 1.083 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.9 OUTLIER 68.66 84.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.4 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' THR . . . 32.57 37.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.083 HG23 ' O ' ' A' ' 42' ' ' THR . 55.2 t -115.41 121.0 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -141.46 120.3 12.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.25 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -103.9 129.62 51.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 1.1 m -97.74 161.36 13.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.757 ' ND2' ' CE1' ' A' ' 73' ' ' PHE . 2.9 t30 -114.51 89.62 18.8 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -75.01 38.97 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.553 1.818 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.608 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -129.98 2.32 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -50.25 -53.45 28.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 16.3 m-85 68.37 -51.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.675 ' HB3' HG21 ' A' ' 34' ' ' VAL . 2.7 m -32.71 148.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 0.0 109.945 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.7 p -150.98 142.53 23.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.956 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.681 HG21 ' HB1' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -135.92 167.42 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.565 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.8 m -111.98 156.04 22.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.601 ' HB3' ' H ' ' A' ' 30' ' ' THR . . . -86.79 171.12 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.645 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.4 p30 -129.66 121.55 27.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.561 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 27.59 -89.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.645 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.4 m-20 -34.84 -47.52 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.609 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.39 2.94 6.83 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.5 m -86.06 142.88 28.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.956 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.681 ' HB1' HG21 ' A' ' 55' ' ' VAL . . . -76.07 158.66 31.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.503 ' O ' ' HB ' ' A' ' 65' ' ' THR . 53.4 p -161.13 110.01 1.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.558 HG23 ' N ' ' A' ' 66' ' ' SER . 5.2 t 179.16 -131.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.405 -179.933 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.558 ' N ' HG23 ' A' ' 65' ' ' THR . 53.8 p -140.66 126.89 19.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.934 ' HG ' HG11 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -112.01 152.61 27.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.907 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.8 t -91.48 95.73 10.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.006 HG11 HG21 ' A' ' 110' ' ' ILE . 21.2 t -66.27 65.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.907 ' NE ' HG23 ' A' ' 68' ' ' THR . 5.5 mtm180 -61.17 131.54 50.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.537 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 61.5 ttp180 -89.91 -76.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 86' ' ' VAL . 88.5 p -65.5 124.62 22.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.757 ' CE1' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -150.53 161.66 42.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.539 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -99.55 64.45 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -39.3 159.7 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.438 1.086 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 51.4 t80 -140.59 139.18 34.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.697 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 4.0 mm? -38.14 -62.94 0.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.697 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER 157.46 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.931 179.94 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 4.7 t0 172.11 49.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -155.65 -50.25 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.522 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -164.51 169.81 16.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.62 0.835 . . . . 0.0 110.398 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.522 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.1 OUTLIER -83.54 151.27 25.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.454 ' CD1' ' HB ' ' A' ' 85' ' ' THR . 13.3 t-105 -110.48 -37.57 5.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 107.997 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.539 ' HA2' ' HA ' ' A' ' 74' ' ' GLU . . . 52.45 85.12 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 86' ' ' VAL . 5.9 t -95.06 12.93 26.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 0.761 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.761 HG13 ' N ' ' A' ' 87' ' ' ASP . 6.2 p 26.58 -139.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.23 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.761 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -37.69 93.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.939 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 93' ' ' CYS . 4.2 m -43.13 -33.12 0.82 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 108.336 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.479 HG22 ' CB ' ' A' ' 87' ' ' ASP . 9.7 t -49.83 -24.21 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.421 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.2 m -74.1 -25.92 60.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -129.24 19.04 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 34.22 51.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -52.19 -175.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 108.294 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.438 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 2.9 pm0 -137.68 159.37 42.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.845 HG23 ' HG2' ' A' ' 36' ' ' GLN . 10.0 p -133.41 98.55 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.409 ' HA3' ' HA2' ' A' ' 107' ' ' GLY . . . -118.41 -167.02 13.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.693 ' CD1' HD11 ' A' ' 67' ' ' LEU . 2.5 mp -103.94 161.67 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.1 t -157.0 120.48 4.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.617 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -100.39 178.12 4.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.263 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.682 ' O ' ' HB2' ' A' ' 101' ' ' ALA . . . -99.73 48.8 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . 163.62 -22.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.43 ' HA3' ' CG ' ' A' ' 99' ' ' ASP . . . -76.5 -64.1 2.23 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -170.16 -162.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.93 -88.01 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.4 Cg_endo -74.93 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.546 1.814 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.555 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 1.5 tp10 90.72 34.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.409 ' HA2' ' HA3' ' A' ' 96' ' ' GLY . . . -75.6 -175.46 37.79 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 110' ' ' ILE . 6.3 p -102.03 126.23 56.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 0.809 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.62 109.58 4.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 1.006 HG21 HG11 ' A' ' 69' ' ' VAL . 4.8 mt -107.64 139.45 29.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -99.68 97.52 8.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.029 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.916 ' CE2' HG12 ' A' ' 69' ' ' VAL . 6.1 m-85 -75.14 127.22 32.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 7.7 t-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.795 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.795 ' CB ' ' O ' ' A' ' 1' ' ' ALA . . . 116.88 -46.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.612 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 18.4 Cg_endo -75.06 35.78 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.568 1.825 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -176.66 172.16 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 110.432 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.701 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -113.48 164.29 13.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.435 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 9.1 p -149.53 156.1 41.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.816 ' CG1' HD11 ' A' ' 110' ' ' ILE . 3.5 p -119.14 146.1 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.357 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.452 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.94 -54.67 1.37 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.07 . . . . 0.0 110.361 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.829 ' CG ' HG21 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.96 -157.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.407 ' HA ' HD13 ' A' ' 110' ' ' ILE . 2.9 t 175.65 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.519 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 92.1 p -155.33 151.73 28.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 76.33 22.7 72.68 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.971 HD22 HG11 ' A' ' 69' ' ' VAL . 2.1 mp -75.5 -152.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 0.809 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.42 159.24 35.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.54 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 17.5 t0 -55.65 96.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 96.86 37.28 4.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.885 HG21 HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -69.94 83.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 110.333 -179.889 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.54 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 5.7 t -71.13 114.95 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.829 HG21 ' CG ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -143.72 -178.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.948 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.88 146.31 33.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.777 HG12 ' O ' ' A' ' 65' ' ' THR . 0.9 OUTLIER -139.44 146.13 26.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.387 1.055 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -148.02 155.36 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.76 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 87.9 -176.54 45.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.793 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . 154.14 -137.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 0.737 . . . . 0.0 109.258 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.99 3.39 51.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.514 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 5.9 tp 46.72 67.5 0.77 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.561 0.801 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.69 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 3.1 tp-100 -83.54 -97.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 163.81 90.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.31 49.02 10.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.683 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.8 OUTLIER -127.9 152.67 47.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.467 0.745 . . . . 0.0 110.336 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.88 151.76 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.751 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -147.38 78.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 111.01 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' SER . 9.5 t0 -55.43 112.72 1.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.972 HG21 HD21 ' A' ' 67' ' ' LEU . 33.6 t -56.33 156.93 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' HA2' ' OD2' ' A' ' 51' ' ' ASP . . . -152.82 131.75 3.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.837 ' CD ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -119.29 112.92 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.524 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 12.2 m -130.57 174.31 10.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 108.353 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.945 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -133.89 88.82 2.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.686 ' HB3' HD12 ' A' ' 45' ' ' LEU . 4.2 p-90 -78.2 102.03 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.014 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.717 HG12 ' N ' ' A' ' 41' ' ' ASP . 55.0 t -93.57 -101.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.717 ' N ' HG12 ' A' ' 40' ' ' VAL . 5.0 t0 -85.4 45.48 1.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.525 HG22 ' N ' ' A' ' 43' ' ' GLY . 1.0 OUTLIER 64.76 -76.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.525 ' N ' HG22 ' A' ' 42' ' ' THR . . . -63.55 -11.14 40.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.559 HG12 ' HE1' ' A' ' 83' ' ' TRP . 3.4 t -107.32 58.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -99.19 97.72 8.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.932 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -79.13 95.8 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.596 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -83.85 140.38 32.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 108.258 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.782 ' ND2' ' CD1' ' A' ' 73' ' ' PHE . 15.4 t-20 -110.88 93.34 16.93 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.1 Cg_endo -75.02 37.12 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.507 ' HB3' ' OD1' ' A' ' 48' ' ' ASN . . . -126.37 -1.96 6.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.483 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -43.34 -53.83 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.368 179.944 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.48 -52.14 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 52' ' ' PHE . 11.9 m -30.48 147.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 p -147.62 138.67 23.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.69 HG22 ' H ' ' A' ' 56' ' ' THR . 4.3 p -134.49 179.44 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.69 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.2 m -130.36 150.86 51.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.38 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.751 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -80.83 164.2 22.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.376 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 60' ' ' ASN . 5.2 p30 -125.79 118.89 26.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.81 -89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.642 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.6 m-20 -38.31 -43.71 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.618 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 122.46 6.39 8.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.8 m -83.63 144.4 29.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -77.15 169.92 17.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 65' ' ' THR . 33.9 p -171.02 102.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.777 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.5 OUTLIER 177.69 171.08 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 80.8 p -86.71 124.61 33.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.035 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.972 HD21 HG21 ' A' ' 34' ' ' VAL . 9.4 mt -112.17 162.84 15.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.923 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.7 t -100.24 94.95 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.437 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.971 HG11 HD22 ' A' ' 13' ' ' LEU . 22.1 t -67.65 69.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.923 ' NE ' HG23 ' A' ' 68' ' ' THR . 1.5 mtm180 -68.19 139.3 56.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.54 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 31.7 ttp180 -102.33 -70.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.77 98.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.782 ' CD1' ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -135.65 173.9 11.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.434 ' HB3' ' N ' ' A' ' 85' ' ' THR . 1.9 pt-20 -129.27 72.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.489 ' CA ' ' HB1' ' A' ' 46' ' ' ALA . . . -71.03 151.72 49.29 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.621 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 13.9 p90 -99.52 134.59 42.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.607 HD12 ' HB ' ' A' ' 81' ' ' THR . 31.1 mt -37.71 -61.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.601 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER 154.98 -27.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.934 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 2.9 t70 174.4 66.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.51 -53.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.607 ' HB ' HD12 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -158.5 169.81 23.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.522 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.0 OUTLIER -118.57 129.69 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 110.326 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.932 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 47.7 m95 -50.95 -97.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 108.056 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 151.13 173.76 21.39 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 85' ' ' THR . 4.1 m -60.55 70.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.438 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.569 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.4 OUTLIER -109.21 164.98 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 90' ' ' THR . 1.3 p30 -70.91 106.75 3.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' ALA . 1.2 m -45.26 -39.42 6.47 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.46 1.1 . . . . 0.0 108.232 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 113' ' ' ASN . 0.5 OUTLIER -50.64 -29.87 12.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 87' ' ' ASP . 8.9 m -74.77 -22.12 58.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -120.76 14.69 11.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 37.05 61.38 0.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.945 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 77.8 m -54.4 -174.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.253 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.482 ' NE2' ' CD1' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -150.06 146.46 26.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.837 HG22 ' CD ' ' A' ' 36' ' ' GLN . 3.8 t -123.23 112.47 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.471 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -136.54 -175.91 14.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.443 1.09 . . . . 0.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.793 HD23 ' HB2' ' A' ' 24' ' ' ALA . 1.1 mm? -100.53 144.69 29.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 0.733 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -128.41 162.74 26.43 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.03 175.64 10.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.62 -15.02 9.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.47 -10.52 23.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.52 27.4 73.51 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.446 1.091 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -78.73 -171.58 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 53.81 82.21 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.5 Cg_endo -74.98 116.89 4.72 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.561 1.822 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 0.3 OUTLIER 158.83 -172.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 179.928 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.471 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . 165.64 -95.31 0.12 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 95' ' ' VAL . 9.9 p -156.84 124.02 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 0.799 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.2 99.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.97 HG23 HD13 ' A' ' 13' ' ' LEU . 6.1 mm -88.24 143.62 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.371 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.799 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -120.65 87.96 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.911 -179.921 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.83 ' CE2' HG12 ' A' ' 69' ' ' VAL . 10.0 m-85 -70.55 4.7 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 111' ' ' SER . 6.4 t30 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.7 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -81.35 -50.17 0.95 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.764 ' C ' HG22 ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.01 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.764 HG22 ' C ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 163.82 172.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.412 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.88 ' CB ' HD23 ' A' ' 97' ' ' LEU . . . -99.61 166.07 11.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.968 ' O ' HG13 ' A' ' 21' ' ' VAL . 79.0 p -154.25 152.37 30.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.014 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.8 t -100.93 136.56 31.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.581 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -37.17 -60.4 0.83 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.014 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.04 -161.58 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.466 1.772 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.456 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 1.1 m 166.54 24.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.997 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.591 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 11.9 t 170.89 155.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 58.49 38.28 90.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.446 1.091 . . . . 0.0 111.031 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.922 HD13 HG21 ' A' ' 17' ' ' THR . 6.8 mt -97.31 -146.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.97 154.35 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.504 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 36.5 t0 -53.73 97.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.479 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 102.05 37.49 3.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.922 HG21 HD13 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -71.61 86.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 110.393 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 11.4 t -77.63 102.65 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.672 HG21 ' CG ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -128.77 177.61 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -75.35 144.18 42.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.968 HG13 ' O ' ' A' ' 6' ' ' THR . 94.8 t -142.44 143.38 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.14 155.59 46.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.769 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 104.05 177.26 25.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.102 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 155.1 -154.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.33 -1.13 6.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.478 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 5.4 tp 49.38 65.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.683 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 7.1 tp60 -90.59 -91.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 163.49 100.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 44.2 34.58 3.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.67 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 57.6 m -107.73 161.51 14.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.424 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.25 148.19 52.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.602 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 4.6 m-85 -150.1 78.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -53.59 138.84 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.234 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.747 HG21 ' HB3' ' A' ' 53' ' ' SER . 79.1 t -64.19 163.13 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.604 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -112.12 -92.85 2.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.445 1.091 . . . . 0.0 111.036 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.82 ' NE2' HG22 ' A' ' 95' ' ' VAL . 6.5 tp60 77.34 99.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 110.358 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.534 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 62.4 m -125.3 -176.14 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -153.92 100.44 2.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.457 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 52.5 t90 -72.68 139.25 47.16 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.649 HG12 ' OD2' ' A' ' 41' ' ' ASP . 91.9 t -122.91 -104.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.649 ' OD2' HG12 ' A' ' 40' ' ' VAL . 1.1 m-20 -54.5 -169.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -78.24 -36.44 47.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.346 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.9 29.22 6.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.601 HG11 ' HZ2' ' A' ' 83' ' ' TRP . 40.5 t -130.08 125.71 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 tt -136.04 104.15 5.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.075 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.616 ' HB1' ' C ' ' A' ' 75' ' ' GLY . . . -81.97 94.72 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.534 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -83.2 160.08 21.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.348 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.736 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 2.6 t-20 -118.66 75.74 13.11 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.453 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.98 22.73 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.543 1.812 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.496 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -123.29 3.78 9.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 4.8 p-10 -37.55 -44.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.538 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER 77.73 -22.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.747 ' HB3' HG21 ' A' ' 34' ' ' VAL . 4.0 m -69.86 154.7 41.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.957 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 57.5 p -156.69 151.87 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.959 ' CG1' HD11 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -138.36 166.55 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.523 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.1 m -110.79 149.73 30.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.429 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.67 ' HB3' ' H ' ' A' ' 30' ' ' THR . . . -81.52 160.19 23.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.6 p30 -121.13 119.93 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.1 -91.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.605 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.3 t-20 -36.11 -44.35 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.603 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 122.98 8.5 6.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 3.3 m -84.22 130.96 34.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -66.17 157.22 31.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.372 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.421 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 5.2 p -156.59 108.3 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.972 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.458 ' CG2' ' HB ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER 179.02 173.4 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 49.0 m -87.79 118.75 27.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 0.0 110.063 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.803 ' HB2' HG21 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -96.91 147.8 23.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.744 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 1.1 t -91.33 86.13 6.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.969 HG11 HG21 ' A' ' 110' ' ' ILE . 19.3 t -65.63 69.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.744 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -72.82 135.71 45.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.357 179.926 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.575 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 11.1 ttm180 -85.98 -68.98 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.592 1.183 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.28 99.93 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.736 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -133.16 157.73 44.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.523 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 3.5 pm0 -97.16 80.03 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.616 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -70.55 149.05 46.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 9.5 m-85 -120.36 130.73 54.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.666 HD22 ' HB ' ' A' ' 81' ' ' THR . 11.0 mp -37.94 -67.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER 154.4 -23.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.397 1.06 . . . . 0.0 111.021 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -91.6 -35.57 14.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 166.4 -27.07 0.17 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.666 ' HB ' HD22 ' A' ' 77' ' ' LEU . 85.9 m -70.84 157.29 38.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 0.781 . . . . 0.0 110.368 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.554 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -158.3 153.43 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.955 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.603 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 50.4 m95 -83.52 -52.98 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.523 ' HA2' ' CB ' ' A' ' 74' ' ' GLU . . . 84.22 140.65 4.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.777 ' O ' HG23 ' A' ' 85' ' ' THR . 1.4 t 33.28 43.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 0.75 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -82.83 137.05 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' THR . 1.5 m-20 -73.62 102.4 3.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 1.186 ' SG ' ' SG ' ' A' ' 93' ' ' CYS . 1.7 m -48.92 -38.82 23.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.436 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -63.32 -30.22 71.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 110.374 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 87' ' ' ASP . 21.0 m -73.21 -29.52 62.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.522 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -119.64 24.72 10.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.183 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 31.31 54.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 1.186 ' SG ' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -52.51 -176.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 108.303 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -144.77 163.23 34.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.82 HG22 ' NE2' ' A' ' 36' ' ' GLN . 59.4 t -129.47 107.97 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -121.39 -163.2 11.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.959 HD11 ' CG1' ' A' ' 55' ' ' VAL . 3.0 mm? -118.79 166.64 12.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.4 146.29 28.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.95 179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -110.75 177.82 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.58 31.69 0.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -155.91 -44.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.555 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -80.33 -53.39 4.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.555 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.5 p30 37.06 -162.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.255 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.514 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 80.16 -162.84 46.57 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 164.73 32.85 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.01 -81.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.734 ' C ' HG23 ' A' ' 108' ' ' VAL . . . 154.03 -159.35 28.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.042 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.734 HG23 ' C ' ' A' ' 107' ' ' GLY . 2.9 t 86.72 74.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.26 105.05 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.969 HG21 HG11 ' A' ' 69' ' ' VAL . 3.4 mt -98.9 119.53 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.591 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -82.43 100.24 9.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.825 ' CE2' HG12 ' A' ' 69' ' ' VAL . 51.1 m-85 -80.45 12.66 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.85 161.11 32.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.913 ' O ' HG23 ' A' ' 4' ' ' THR . 18.4 Cg_endo -74.98 127.98 11.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.913 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -175.41 148.06 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.362 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.437 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -90.61 175.79 6.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.793 ' HA ' HG21 ' A' ' 108' ' ' VAL . 45.6 p -152.14 149.74 29.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.868 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -129.29 146.31 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.486 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -43.81 -56.29 7.61 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.868 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.94 -157.05 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.557 1.82 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 110' ' ' ILE . 2.6 p -158.47 -27.03 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.54 ' O ' HD23 ' A' ' 13' ' ' LEU . 63.0 p -165.39 175.56 9.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.039 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 56.52 33.79 62.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.457 1.098 . . . . 0.0 111.057 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.004 HD11 HG21 ' A' ' 110' ' ' ILE . 4.6 mt -67.68 -142.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.303 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -161.06 157.27 25.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.979 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.45 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 33.6 t70 -51.94 91.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.669 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 90.54 44.89 4.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.731 ' O ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -64.01 77.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.563 0.802 . . . . 0.0 110.397 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 16' ' ' GLY . 8.5 t -67.86 98.13 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 17' ' ' THR . 4.0 m -131.59 177.61 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -69.38 136.54 51.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.741 ' CG2' HG13 ' A' ' 7' ' ' VAL . 38.6 t -138.81 137.68 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -138.59 162.9 33.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.785 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 87.15 -176.12 46.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.785 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 148.52 -144.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 0.795 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.63 -0.31 8.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.57 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER 49.49 51.87 15.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 0.74 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.598 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 58.2 tp60 -65.42 -99.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 168.71 88.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 41.14 47.57 4.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.411 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 1.0 OUTLIER -125.63 154.28 42.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 110.445 179.938 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.73 146.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.71 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -153.19 80.45 1.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.939 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 98' ' ' SER . 2.9 t70 -57.17 130.23 45.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.745 HG22 HD21 ' A' ' 67' ' ' LEU . 37.4 t -66.31 141.87 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.32 145.49 14.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.138 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.557 ' HG3' HG23 ' A' ' 95' ' ' VAL . 1.0 OUTLIER -131.73 119.06 20.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.467 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 4.8 m -127.11 174.26 9.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 108.318 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.732 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -150.8 166.74 29.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -90.34 150.58 21.84 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.904 HG13 ' CZ2' ' A' ' 83' ' ' TRP . 2.1 t -119.53 -143.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.694 ' O ' HG22 ' A' ' 42' ' ' THR . 0.3 OUTLIER -115.13 138.5 50.83 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.868 HG22 HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER 83.94 20.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.63 1.42 90.16 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.868 HG23 HG22 ' A' ' 42' ' ' THR . 13.1 t -65.84 148.54 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.737 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.14 127.33 48.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' CD1' ' A' ' 83' ' ' TRP . . . -108.53 112.01 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.467 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -88.57 160.02 17.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 8.4 t-20 -112.68 94.36 28.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 42.49 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.576 1.83 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -131.54 0.54 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.522 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -47.5 -57.69 5.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.463 ' O ' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.57 -56.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 -180.0 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.538 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.0 m -36.01 156.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.962 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.449 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 24.1 p -159.19 145.84 16.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.904 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.0 p -149.69 -160.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.728 ' H ' HG22 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -141.83 159.35 42.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.37 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.71 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -82.2 178.05 8.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.9 p30 -131.42 119.85 22.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.94 -88.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.658 ' N ' ' O ' ' A' ' 58' ' ' ASP . 3.5 m-80 -35.93 -45.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.613 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 124.33 5.6 7.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.483 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -87.77 139.53 30.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 110.009 -180.0 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.83 ' HB3' HD23 ' A' ' 97' ' ' LEU . . . -73.39 170.37 15.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' A' ' 65' ' ' THR . 6.1 p -169.28 102.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.041 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.904 ' HB ' HG21 ' A' ' 55' ' ' VAL . 1.3 t -178.37 173.69 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.361 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 42.8 m -84.67 105.74 15.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.039 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.745 HD21 HG22 ' A' ' 34' ' ' VAL . 6.7 mp -100.09 151.56 21.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.652 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -90.32 94.95 9.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.359 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.864 HG21 HG11 ' A' ' 7' ' ' VAL . 2.9 t -69.66 62.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.652 ' NE ' ' O ' ' A' ' 68' ' ' THR . 1.7 mtm180 -38.3 157.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.542 ' CG ' ' HB2' ' A' ' 112' ' ' PHE . 1.3 ttt180 -111.88 -64.3 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.427 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 13.3 p -119.28 158.57 25.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.431 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 2.9 p90 168.23 -168.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.682 ' HA ' ' H ' ' A' ' 85' ' ' THR . 1.2 pm0 -97.5 106.36 18.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.363 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -80.58 169.27 52.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.403 1.064 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -141.79 138.96 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 111.026 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 3.7 mm? -54.61 -63.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER 157.82 -20.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 111.034 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -97.03 -47.54 5.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.14 46.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.2 m -124.27 127.87 48.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.402 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 158.43 6.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.904 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 69.8 t-105 -169.27 177.43 4.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 108.047 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 59.1 -76.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.682 ' H ' ' HA ' ' A' ' 74' ' ' GLU . 12.9 t 37.54 29.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 0.717 . . . . 0.0 110.389 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.775 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 179.42 -164.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.775 ' N ' HG13 ' A' ' 86' ' ' VAL . 1.8 m-20 -45.03 122.38 3.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.54 ' SG ' ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -93.58 -29.17 15.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 108.325 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.577 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 10.4 t -48.43 -33.62 9.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 0.0 110.443 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -26.23 66.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -102.56 17.99 22.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 35.53 61.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.23 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.732 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 2.7 m -64.3 172.06 2.73 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 108.25 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.467 ' HG3' ' CB ' ' A' ' 106' ' ' GLU . 7.3 pm0 -140.52 159.02 43.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.361 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.611 HG22 HD23 ' A' ' 67' ' ' LEU . 14.3 p -129.36 104.4 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -126.48 164.38 20.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.83 HD23 ' HB3' ' A' ' 63' ' ' ALA . 1.3 mm? -86.52 136.61 33.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.497 ' HB3' ' CA ' ' A' ' 104' ' ' GLY . 0.1 OUTLIER -139.55 149.78 44.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.927 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -77.19 163.42 26.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.776 ' O ' ' HB2' ' A' ' 101' ' ' ALA . . . -83.21 30.61 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . 153.77 39.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.427 1.079 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -126.08 -62.09 0.16 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 98' ' ' SER . 9.9 t-20 177.92 -165.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 0.737 . . . . 0.0 109.357 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.497 ' CA ' ' HB3' ' A' ' 98' ' ' SER . . . 170.36 64.07 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -74.98 105.18 2.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.555 1.819 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.467 ' CB ' ' HG3' ' A' ' 94' ' ' GLN . 2.3 mt-10 38.14 -102.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.48 -80.45 0.34 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.793 HG21 ' HA ' ' A' ' 6' ' ' THR . 3.8 p -147.89 106.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 109.316 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.428 ' CA ' ' HB3' ' A' ' 94' ' ' GLN . . . -87.94 117.77 27.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 1.004 HG21 HD11 ' A' ' 13' ' ' LEU . 7.7 mt -126.0 157.32 36.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER -91.67 103.49 16.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.934 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.61 ' CE1' HG12 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -85.21 136.35 33.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.447 ' C ' ' NE ' ' A' ' 71' ' ' ARG . 1.6 m120 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.932 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -87.88 -58.68 0.27 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.971 ' O ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.0 166.21 29.69 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.971 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 178.41 160.5 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.446 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.688 ' HB1' HD23 ' A' ' 97' ' ' LEU . . . -106.92 158.0 17.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.529 ' O ' HG13 ' A' ' 21' ' ' VAL . 6.9 p -151.63 160.52 43.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.082 HG12 ' HD2' ' A' ' 9' ' ' PRO . 6.6 t -113.14 135.4 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.612 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -36.48 -62.06 0.56 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.37 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.082 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.02 -157.99 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.26 38.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.997 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 110' ' ' ILE . 16.7 p -154.84 103.28 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.656 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -72.39 4.08 21.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.656 ' C ' ' O ' ' A' ' 12' ' ' GLY . 8.9 mt -15.65 -59.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 0.724 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -74.63 123.57 25.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.965 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.532 ' HA ' ' HG2' ' A' ' 71' ' ' ARG . 10.8 p30 -62.98 94.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 98.14 36.86 4.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.849 ' O ' HG23 ' A' ' 69' ' ' VAL . 89.8 m -58.16 83.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.425 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 16' ' ' GLY . 2.8 t -70.03 77.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.845 HG13 HG22 ' A' ' 17' ' ' THR . 14.2 m -103.14 173.08 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.186 -179.908 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -61.28 145.2 52.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.235 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.89 HG21 ' HB2' ' A' ' 67' ' ' LEU . 27.3 t -143.78 146.09 21.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.142 . . . . 0.0 109.254 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -149.23 154.56 39.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.372 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.759 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 100.97 175.58 29.22 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 157.15 -155.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.226 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.66 -0.59 8.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.555 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 3.8 tp 49.72 65.76 1.32 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 0.788 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.659 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -89.56 -90.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.29 -179.968 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 165.05 97.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 40.07 34.0 0.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.501 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -102.84 154.38 19.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.729 . . . . 0.0 110.407 179.99 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.61 146.2 10.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.385 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.885 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 3.0 m-85 -150.77 81.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 111.009 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.01 132.35 53.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 109.357 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.093 HG13 HD13 ' A' ' 67' ' ' LEU . 59.7 t -71.81 147.31 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -128.52 -171.62 13.03 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.531 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 171.67 109.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.243 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 14.9 m -119.36 170.62 8.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -134.75 176.12 8.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 44' ' ' VAL . 1.8 t90 -120.56 147.22 45.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.653 HG12 ' N ' ' A' ' 41' ' ' ASP . 95.9 t -133.65 -108.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.653 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -57.64 178.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 m -69.24 88.71 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 110.382 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.24 -14.4 36.6 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.445 1.091 . . . . 0.0 111.068 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.712 HG13 HD23 ' A' ' 77' ' ' LEU . 24.5 t -72.66 140.2 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.724 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 77' ' ' LEU . 1.6 tp -131.51 135.87 47.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.865 ' HB1' ' HA3' ' A' ' 75' ' ' GLY . . . -114.3 92.26 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.539 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -69.82 155.81 39.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 108.36 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 30.9 t-20 -112.62 87.7 10.18 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.398 1.061 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.98 35.0 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -135.59 5.96 3.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.411 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 1.9 m-20 -45.88 -46.69 15.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.69 -56.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.571 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.3 m -32.82 147.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.481 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 60.8 p -158.57 148.49 19.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.854 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.2 p -151.16 -162.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.218 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.644 ' H ' HG22 ' A' ' 55' ' ' VAL . 12.8 m -138.18 170.96 15.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.885 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -89.4 177.13 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.622 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.1 p30 -132.6 120.59 22.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.241 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.07 -90.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.622 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.3 m-20 -35.44 -46.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.607 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 125.09 7.15 6.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.7 OUTLIER -87.86 141.36 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 110.02 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -75.19 165.42 25.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.512 ' O ' ' HB ' ' A' ' 65' ' ' THR . 3.5 p -164.41 107.23 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.098 . . . . 0.0 109.966 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.854 ' HB ' HG21 ' A' ' 55' ' ' VAL . 8.9 t 179.26 -179.35 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.363 -179.926 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 4.5 m -91.0 123.76 34.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.022 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.093 HD13 HG13 ' A' ' 34' ' ' VAL . 4.2 mt -113.18 138.46 49.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.623 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 8.9 t -82.9 109.53 17.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.445 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.112 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.1 t -80.68 65.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.623 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -61.57 124.47 20.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 110.288 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.556 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -83.31 -75.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.552 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 64.8 p -84.64 120.18 26.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CD2' ' HG3' ' A' ' 70' ' ' ARG . 8.4 p90 -163.65 179.27 7.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.38 128.43 33.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.865 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -116.21 159.57 13.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 45.4 t80 -133.12 132.05 41.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.712 HD23 HG13 ' A' ' 44' ' ' VAL . 8.3 mt -40.43 -59.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.633 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER 152.01 -26.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.956 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.448 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 4.5 t0 173.42 51.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.95 -52.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.672 ' CB ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -153.25 169.29 23.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 110.361 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.475 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.2 OUTLIER -122.56 124.22 43.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.968 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.703 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 7.7 m95 -63.28 -86.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 108.002 -179.936 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 102.66 141.67 11.73 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 85' ' ' THR . 0.7 OUTLIER 26.57 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 0.719 . . . . 0.0 110.432 -179.937 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.79 133.5 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.3 OUTLIER -72.78 105.83 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -68.11 -26.45 65.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 108.324 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.554 HG21 ' HB3' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -53.56 -18.29 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -79.68 -19.78 48.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.435 1.084 . . . . 0.0 110.377 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -135.55 24.08 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 32.27 90.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.656 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 1.1 p -63.22 -172.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 1.3 pm0 -142.4 146.95 35.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.75 HG12 HD12 ' A' ' 110' ' ' ILE . 12.1 p -122.62 126.29 73.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.498 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -142.57 175.34 22.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' A' ' 32' ' ' TYR . 4.6 mm? -96.08 147.81 23.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.82 152.91 50.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.1 179.98 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.78 -14.13 13.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -99.21 -7.14 26.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.22 30.36 71.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.422 1.076 . . . . 0.0 110.992 -179.947 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -97.46 -171.76 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.521 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 63.4 58.03 12.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.3 Cg_endo -74.99 -172.71 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.443 1.76 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.62 71.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.498 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . -71.18 -84.69 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 95' ' ' VAL . 7.9 p -175.4 134.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.77 115.32 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 109.254 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 1.05 HG21 HG11 ' A' ' 69' ' ' VAL . 26.2 mt -112.61 150.26 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -81.3 84.16 6.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.112 ' CE2' HG12 ' A' ' 69' ' ' VAL . 95.6 m-85 -78.45 137.53 38.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.554 ' HB3' HG21 ' A' ' 89' ' ' THR . 2.5 t30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.422 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . -144.9 161.77 41.28 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.561 ' O ' ' CB ' ' A' ' 4' ' ' THR . 18.5 Cg_endo -74.97 -38.36 1.64 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.446 1.761 . . . . 0.0 111.016 179.904 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.561 ' CB ' ' O ' ' A' ' 3' ' ' PRO . 2.0 m 87.21 168.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.757 ' HB3' ' HA2' ' A' ' 96' ' ' GLY . . . -86.45 143.32 27.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.897 ' HA ' HG11 ' A' ' 108' ' ' VAL . 15.3 p -149.03 154.48 39.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.941 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -107.69 131.71 57.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.461 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.23 -54.78 1.1 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.941 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.98 163.13 35.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.806 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.632 ' HA ' HG23 ' A' ' 110' ' ' ILE . 93.6 p -125.73 2.79 7.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.483 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 99.7 p -164.0 160.84 22.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.517 ' C ' ' H ' ' A' ' 14' ' ' SER . . . 47.94 46.81 26.05 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.074 HD21 HG21 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -66.23 1.86 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.544 ' O ' ' O ' ' A' ' 13' ' ' LEU . 1.2 t 56.3 134.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 109.986 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.549 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -68.32 109.13 3.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.01 31.31 29.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.597 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -102.07 106.52 17.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.404 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.903 HG12 ' HB2' ' A' ' 66' ' ' SER . 2.1 t -79.59 102.6 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.485 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -108.83 168.93 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 120.22 11.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 6' ' ' THR . 73.7 t -124.03 138.2 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -136.34 159.89 40.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.881 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 96.05 -175.03 31.94 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.459 1.1 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.771 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 146.71 -157.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 0.807 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.87 -3.45 4.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.717 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.6 OUTLIER 48.26 65.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.64 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.9 tp60 -72.63 -104.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.411 1.069 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 167.17 55.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.28 71.93 1.29 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.464 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -160.0 160.88 33.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 0.74 . . . . 0.0 110.384 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.75 153.55 16.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.53 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -149.19 80.05 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 111.033 179.904 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -54.91 127.91 30.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.587 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 38.0 t -68.8 149.51 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -127.21 -158.43 9.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.871 ' CG ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 163.19 117.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 0.755 . . . . 0.0 110.368 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.452 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 17.8 m -125.17 -176.88 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 108.295 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB1' ' SG ' ' A' ' 88' ' ' CYS . . . -147.94 145.44 28.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.983 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 10.2 m95 -91.26 122.72 34.13 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.013 HG22 ' NE1' ' A' ' 83' ' ' TRP . 51.4 t -86.0 -114.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.58 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -91.21 40.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.506 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.8 OUTLIER 67.92 -62.94 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 -179.955 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.506 ' N ' HG22 ' A' ' 42' ' ' THR . . . -68.84 -5.63 47.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.864 ' CG1' HD21 ' A' ' 77' ' ' LEU . 45.1 t -130.04 134.73 62.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 0.806 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.576 HD21 HE22 ' A' ' 94' ' ' GLN . 0.6 OUTLIER -133.06 132.85 42.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' HB3' ' A' ' 83' ' ' TRP . . . -118.94 127.98 53.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.452 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -93.25 163.84 13.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 108.297 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.521 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 6.7 t-20 -113.04 92.83 22.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.94 40.87 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.453 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -137.59 5.85 2.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.222 -179.881 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.552 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -41.12 -50.42 3.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.55 -60.76 0.38 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.587 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.4 m -33.38 148.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 109.928 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.8 t -153.91 141.58 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.881 HG21 ' CG2' ' A' ' 65' ' ' THR . 1.2 p -143.84 -157.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.699 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.8 m -145.74 169.71 17.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.427 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.718 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -81.1 177.66 8.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.707 ' O ' ' C ' ' A' ' 59' ' ' ALA . 55.5 p30 -133.47 132.33 40.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -8.23 78.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.717 ' OD1' HD11 ' A' ' 26' ' ' LEU . 8.8 t30 150.75 -37.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.718 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 120.27 -7.9 11.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.966 179.901 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -75.77 133.23 40.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 0.734 . . . . 0.0 109.948 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -79.24 160.0 27.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 65' ' ' THR . 89.7 p -165.55 114.75 1.02 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 109.929 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.881 ' CG2' HG21 ' A' ' 55' ' ' VAL . 10.1 t 179.85 -141.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.437 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.903 ' HB2' HG12 ' A' ' 18' ' ' VAL . 9.5 p -129.85 120.17 24.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.792 HD22 HG11 ' A' ' 21' ' ' VAL . 4.9 mp -115.94 138.11 51.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.796 ' HB ' HG22 ' A' ' 18' ' ' VAL . 3.8 t -80.85 101.55 9.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.051 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.3 t -68.96 60.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.724 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.2 OUTLIER -43.35 129.95 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.572 ' O ' ' CE2' ' A' ' 73' ' ' PHE . 7.5 tmm_? -99.79 -70.56 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.258 -179.93 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.769 ' HB2' HG22 ' A' ' 86' ' ' VAL . 90.8 p -89.72 131.38 35.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE2' ' O ' ' A' ' 71' ' ' ARG . 20.8 p90 -172.13 -169.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' HA ' ' HA3' ' A' ' 84' ' ' GLY . 3.2 pt-20 -127.39 74.16 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.676 ' H ' ' HA3' ' A' ' 84' ' ' GLY . . . -62.33 -162.48 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.55 ' CD2' ' O ' ' A' ' 81' ' ' THR . 0.4 OUTLIER -159.39 151.25 20.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 0.73 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.864 HD21 ' CG1' ' A' ' 44' ' ' VAL . 6.2 mt -67.69 -43.62 79.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.237 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.621 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 3.6 t80 85.05 8.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.27 -38.89 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.431 179.895 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.95 40.34 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.613 ' HB ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -170.69 169.1 7.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 0.78 . . . . 0.0 110.371 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -110.5 -179.52 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 1.013 ' NE1' HG22 ' A' ' 40' ' ' VAL . 20.7 t-105 -173.64 -177.27 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 107.959 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.676 ' HA3' ' H ' ' A' ' 75' ' ' GLY . . . 111.97 -57.14 0.44 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.749 ' O ' HG23 ' A' ' 85' ' ' THR . 13.5 t 30.88 68.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 0.809 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.871 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER 48.29 -149.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.871 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -24.06 121.72 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.578 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -109.31 -15.94 14.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 108.227 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 12.3 t -45.99 -23.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -75.55 -23.78 56.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.426 179.953 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.983 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -101.22 -13.02 18.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 80.04 90.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -82.0 161.59 22.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 108.299 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.576 HE22 HD21 ' A' ' 45' ' ' LEU . 14.5 pm0 -140.58 143.23 35.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.871 HG22 ' CG ' ' A' ' 36' ' ' GLN . 2.6 t -114.23 118.08 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.757 ' HA2' ' HB3' ' A' ' 5' ' ' ALA . . . -129.27 175.95 18.68 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.547 1.154 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.485 ' HA ' HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -102.11 156.21 17.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.344 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -133.06 150.24 52.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -103.98 -174.74 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.942 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.83 6.91 9.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.92 -13.02 14.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 70.3 35.2 69.48 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 102' ' ' GLY . 14.7 m-20 -50.94 -177.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 0.796 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.73 160.61 37.2 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.613 1.195 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.415 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.95 -93.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.537 1.809 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.516 ' O ' ' CG2' ' A' ' 4' ' ' THR . 2.3 mt-10 60.0 44.5 13.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.533 ' CA ' ' CA ' ' A' ' 96' ' ' GLY . . . -68.38 -103.33 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.897 HG11 ' HA ' ' A' ' 6' ' ' THR . 3.7 p -163.29 111.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.67 97.65 1.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 1.074 HG21 HD21 ' A' ' 13' ' ' LEU . 24.5 mt -110.62 169.47 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.524 ' N ' HG22 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -87.56 113.78 23.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.006 179.949 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.051 ' CE2' HG12 ' A' ' 69' ' ' VAL . 4.4 m-85 -94.6 125.81 39.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.975 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.72 95.04 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.751 ' C ' HG23 ' A' ' 4' ' ' THR . 18.1 Cg_endo -75.05 -88.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.79 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.751 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER 67.93 157.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.406 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.594 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . -79.03 141.69 37.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.98 ' O ' HG13 ' A' ' 21' ' ' VAL . 7.4 p -144.8 154.73 42.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 110.407 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.819 ' HB ' HD11 ' A' ' 110' ' ' ILE . 53.5 t -110.09 123.77 66.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.721 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -35.29 -67.94 0.2 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 0.0 110.324 -179.972 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.721 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.0 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.438 1.757 . . . . 0.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 p -162.49 32.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 111' ' ' SER . 26.5 p -137.97 77.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.918 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.651 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -66.91 -0.98 9.88 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 179.938 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.784 HD23 ' O ' ' A' ' 111' ' ' SER . 1.6 mt -17.81 -56.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -66.6 115.72 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 39.7 t0 -55.16 96.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.681 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 101.17 37.72 3.51 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -60.19 80.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.79 . . . . 0.0 110.384 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 16' ' ' GLY . 7.0 t -68.72 92.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.715 HG21 ' HG2' ' A' ' 9' ' ' PRO . 1.8 m -115.43 172.93 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -73.41 139.16 45.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.98 HG13 ' O ' ' A' ' 6' ' ' THR . 91.7 t -135.33 139.78 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -139.17 155.45 47.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.776 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 103.72 -175.45 23.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 146.49 -159.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.54 -3.92 3.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.615 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.4 OUTLIER 46.81 68.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.336 -179.942 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.726 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 12.8 mm-40 -80.6 -100.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 158.92 57.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.416 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . 98.57 67.55 0.89 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 31' ' ' ALA . 23.0 m -153.14 167.94 27.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.413 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.458 ' N ' HG22 ' A' ' 30' ' ' THR . . . -78.38 152.91 32.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.569 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 15.8 m-85 -147.91 77.93 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.2 130.4 38.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.517 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 10.9 t -66.74 152.82 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.41 ' HA2' ' OD1' ' A' ' 51' ' ' ASP . . . -142.53 168.36 25.88 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 1.041 ' CG ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -164.88 120.5 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.307 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.664 ' HB3' HD21 ' A' ' 45' ' ' LEU . 11.4 m -131.96 178.86 6.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.882 ' HB2' ' SG ' ' A' ' 88' ' ' CYS . . . -145.35 113.91 6.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.885 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -88.85 134.18 34.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.586 1.179 . . . . 0.0 107.99 -179.972 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.651 HG22 ' HB1' ' A' ' 91' ' ' ALA . 43.7 t -115.82 -115.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.552 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.3 m-20 -75.26 57.07 0.85 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.468 HG22 ' N ' ' A' ' 43' ' ' GLY . 1.2 m 58.99 -77.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -77.99 33.82 1.7 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.918 ' CG1' HG23 ' A' ' 81' ' ' THR . 62.2 t -147.22 64.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.885 HD12 ' HB2' ' A' ' 39' ' ' TRP . 5.3 tt -111.8 107.2 16.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.712 ' HB2' ' HB ' ' A' ' 81' ' ' THR . . . -88.64 122.98 32.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.528 ' HB2' ' CG ' ' A' ' 78' ' ' PHE . 1.1 m -90.69 156.18 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.765 ' ND2' ' CD1' ' A' ' 73' ' ' PHE . 14.0 t-20 -115.55 86.71 15.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.661 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.95 37.54 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.481 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -124.76 -2.27 7.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.5 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -40.43 -51.82 2.81 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.17 -53.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.107 . . . . 0.0 111.037 -179.945 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.517 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.1 m -35.99 153.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 t -154.13 144.46 22.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.61 ' CG1' HD11 ' A' ' 97' ' ' LEU . 1.8 p -142.85 167.14 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.511 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.1 m -121.43 153.63 37.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.708 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -59.85 173.87 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.706 ' O ' ' C ' ' A' ' 59' ' ' ALA . 46.7 p30 -135.17 128.48 32.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.706 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -3.57 74.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.692 ' N ' ' O ' ' A' ' 58' ' ' ASP . 12.2 t30 156.42 -39.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.708 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 122.77 -8.18 9.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.3 t -78.68 131.47 36.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 0.803 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.9 156.73 28.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.221 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.3 p -152.41 115.71 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.613 HG22 ' CD1' ' A' ' 67' ' ' LEU . 0.5 OUTLIER 177.91 167.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 22.5 p -86.95 121.47 29.46 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.4 1.062 . . . . 0.0 110.019 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.765 ' HB2' HG21 ' A' ' 21' ' ' VAL . 8.0 mp -105.39 146.53 29.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.863 HG23 ' HE ' ' A' ' 70' ' ' ARG . 9.1 t -86.24 95.82 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.921 HG12 ' CE2' ' A' ' 112' ' ' PHE . 19.2 t -71.53 64.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.863 ' HE ' HG23 ' A' ' 68' ' ' THR . 4.1 mtm180 -48.4 142.97 5.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.554 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -88.83 -58.02 2.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.504 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 88.1 p -126.92 157.42 39.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.765 ' CD1' ' ND2' ' A' ' 48' ' ' ASN . 31.8 p90 176.66 -165.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.548 ' HG3' ' CE1' ' A' ' 76' ' ' PHE . 4.9 pm0 -83.95 110.69 18.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.11 121.01 5.89 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.597 1.186 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.661 ' CD1' ' HD2' ' A' ' 49' ' ' PRO . 22.8 m-85 -97.73 121.06 39.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.795 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.88 HD23 ' N ' ' A' ' 81' ' ' THR . 1.3 mt -25.29 -78.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.528 ' CG ' ' HB2' ' A' ' 47' ' ' CYS . 11.9 t80 67.28 4.93 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.184 . . . . 0.0 111.027 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.7 t0 178.09 -36.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 44' ' ' VAL . . . 159.35 54.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.918 HG23 ' CG1' ' A' ' 44' ' ' VAL . 1.8 m -144.21 95.25 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.773 . . . . 0.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.61 98.58 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.358 179.911 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.622 ' CD2' HG11 ' A' ' 86' ' ' VAL . 18.2 m95 -114.72 -82.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 108.011 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 74' ' ' GLU . . . 87.26 -33.98 3.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER -163.93 84.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 110.385 -179.952 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.622 HG11 ' CD2' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -152.4 178.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.504 ' HA ' ' CB ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -83.77 144.07 29.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.882 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -96.78 -24.48 15.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 108.283 -179.936 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.469 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 13.9 t -63.03 -26.37 68.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.098 . . . . 0.0 110.34 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.09 -19.92 50.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.651 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -112.3 25.56 11.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 37.04 64.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.727 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -50.49 178.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.318 -179.94 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 17.1 pm0 -159.6 147.07 16.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 110.24 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.041 HG22 ' CG ' ' A' ' 36' ' ' GLN . 22.1 t -118.44 121.36 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.23 -171.12 12.47 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.61 HD11 ' CG1' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -105.48 150.88 24.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 0.747 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -131.28 110.32 11.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -109.48 -176.48 3.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.24 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.57 20.25 3.5 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -177.15 52.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -179.12 -33.85 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.093 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.446 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.4 p30 -41.03 163.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 130.62 -165.63 22.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.95 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.506 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.4 Cg_endo -74.94 107.74 2.55 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.797 . . . . 0.0 111.044 179.92 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.6 OUTLIER 179.38 36.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -79.86 172.46 54.85 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 108' ' ' VAL . 1.4 p -97.17 110.58 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.381 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -59.0 116.84 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.819 HD11 ' HB ' ' A' ' 7' ' ' VAL . 32.5 mt -118.51 151.27 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.373 179.921 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.784 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -84.08 93.33 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.943 -179.92 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.921 ' CE2' HG12 ' A' ' 69' ' ' VAL . 71.3 m-85 -85.75 14.99 5.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.506 ' C ' HD22 ' A' ' 13' ' ' LEU . 10.9 t30 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 1.007 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -87.09 -60.23 0.26 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 1.007 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -75.01 -148.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.502 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 3.1 m -99.51 -6.07 28.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.81 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -71.62 127.35 32.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.475 HG23 ' C ' ' A' ' 5' ' ' ALA . 66.9 p -154.43 153.4 31.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.902 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.042 HG13 ' CG2' ' A' ' 21' ' ' VAL . 3.0 t -112.49 135.05 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 7' ' ' VAL . 0.8 OUTLIER -32.59 -53.23 0.6 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 -179.961 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.984 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.05 -149.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.542 1.812 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.4 ' H ' ' HB2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER 175.61 -23.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.559 ' O ' HD23 ' A' ' 13' ' ' LEU . 88.5 p -172.05 165.81 6.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.935 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.94 35.94 92.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.618 HD21 ' HB2' ' A' ' 9' ' ' PRO . 3.9 mt -92.88 -148.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -156.18 152.03 27.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 31.3 t0 -53.77 108.47 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' VAL . . . 89.03 36.01 7.9 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -71.54 82.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 110.404 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.5 t -65.15 90.81 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.658 HG21 ' CG ' ' A' ' 9' ' ' PRO . 1.4 m -112.43 -171.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 65' ' ' THR . 16.7 mttt -100.71 117.38 34.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.042 ' CG2' HG13 ' A' ' 7' ' ' VAL . 4.1 t -103.57 145.64 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.368 179.913 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.82 159.69 41.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.781 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 84.03 -166.22 42.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.81 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . . . 142.6 -129.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.19 3.03 67.74 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.559 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.6 OUTLIER 41.55 67.36 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 0.788 . . . . 0.0 109.323 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.66 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 9.1 mm-40 -87.0 -100.19 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 165.36 83.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.51 28.34 73.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.8 m -103.64 154.7 19.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.396 0.704 . . . . 0.0 110.395 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 99' ' ' ASP . . . -63.21 159.38 17.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.836 ' O ' HG12 ' A' ' 55' ' ' VAL . 13.0 m-85 -156.64 75.76 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 111.07 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -53.37 142.2 22.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.734 HG21 ' HB3' ' A' ' 53' ' ' SER . 4.0 t -67.35 148.62 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -116.97 -89.2 1.42 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.556 1.16 . . . . 0.0 111.065 179.891 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.957 ' NE2' HG22 ' A' ' 95' ' ' VAL . 1.5 tp60 70.45 104.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.528 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 20.7 m -130.94 177.14 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.269 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.586 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -144.69 123.14 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.619 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -73.6 129.45 37.98 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.751 HG11 ' CE2' ' A' ' 83' ' ' TRP . 81.8 t -112.57 -104.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.511 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.8 t0 -59.35 -165.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -70.95 -48.96 50.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.14 32.2 5.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.647 ' CG1' HD13 ' A' ' 77' ' ' LEU . 23.9 t -127.28 133.23 68.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.595 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -138.51 106.84 5.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.839 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -73.3 101.54 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.621 ' C ' ' HD3' ' A' ' 49' ' ' PRO . 0.5 OUTLIER -80.54 163.47 23.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 108.266 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.661 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 31.5 t-20 -115.63 70.87 3.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.621 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.98 8.45 2.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.552 1.817 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.667 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . . . -99.81 -5.22 28.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.53 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 3.0 p-10 -54.24 -51.61 63.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.667 ' CE1' ' HA ' ' A' ' 50' ' ' ALA . 12.2 m-85 69.14 -8.49 0.69 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.734 ' HB3' HG21 ' A' ' 34' ' ' VAL . 3.8 m -65.17 158.43 26.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 78.7 p -149.74 153.26 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.03 HG11 HD22 ' A' ' 97' ' ' LEU . 13.0 p -145.46 170.78 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.512 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -131.81 149.93 52.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.465 179.95 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.623 ' HB2' ' HE2' ' A' ' 32' ' ' TYR . . . -66.51 176.28 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.695 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.9 p-10 -135.44 134.88 40.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.695 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.4 79.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.675 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.9 t30 150.95 -34.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.613 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 115.88 -3.3 21.14 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -82.81 127.51 33.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.035 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -62.79 165.34 6.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 65' ' ' THR . 85.8 p -169.94 107.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.706 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.7 OUTLIER 178.98 -165.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.438 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.696 ' N ' HG23 ' A' ' 65' ' ' THR . 93.2 p -101.77 134.91 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.065 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.729 HD11 HD23 ' A' ' 97' ' ' LEU . 2.4 mp -125.0 137.33 54.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.604 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -80.35 89.36 5.55 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.476 1.11 . . . . 0.0 110.487 179.92 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.603 HG13 ' HE2' ' A' ' 112' ' ' PHE . 89.5 t -62.74 69.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.604 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -73.41 122.14 21.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.563 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 0.4 OUTLIER -84.93 -79.31 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -76.8 100.63 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.661 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 3.0 p90 -144.04 147.77 34.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 74' ' ' GLU . 1.8 pt-20 -75.4 104.9 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.716 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -89.48 161.21 29.74 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.502 ' O ' ' C ' ' A' ' 77' ' ' LEU . 5.8 m-85 -106.72 129.2 54.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 0.759 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.647 HD13 ' CG1' ' A' ' 44' ' ' VAL . 1.6 mm? -33.06 -68.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.595 ' CZ ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER 159.17 -24.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 110.938 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.24 -69.03 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -167.19 28.99 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.1 m -117.78 147.63 42.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' TRP . 17.2 ttp180 -109.7 105.92 15.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.839 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -40.79 -84.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 108.025 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.538 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 137.06 114.17 1.29 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.775 ' O ' HG23 ' A' ' 85' ' ' THR . 12.4 t 27.07 77.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 0.804 . . . . 0.0 110.363 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -91.71 119.18 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.441 ' HB3' ' CB ' ' A' ' 90' ' ' THR . 8.8 m-20 -71.56 105.19 3.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.622 ' HB3' ' CE1' ' A' ' 112' ' ' PHE . 2.4 m -53.19 -57.69 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.31 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.523 HG21 ' CZ ' ' A' ' 71' ' ' ARG . 8.9 t -50.45 -28.48 8.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.441 ' CB ' ' HB3' ' A' ' 87' ' ' ASP . 52.5 m -79.78 -23.48 42.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.619 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -126.26 29.21 5.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.566 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 26.27 52.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.612 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -51.33 -179.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 108.282 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.525 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 6.2 pm0 -135.93 152.53 51.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.957 HG22 ' NE2' ' A' ' 36' ' ' GLN . 2.3 t -126.09 113.28 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.55 155.19 26.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.03 HD22 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -106.71 139.06 41.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 0.793 . . . . 0.0 109.343 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 33' ' ' ASP . 1.0 OUTLIER -141.53 158.9 43.25 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.576 1.172 . . . . 0.0 110.004 -179.905 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -90.76 176.33 6.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.598 ' O ' ' HB2' ' A' ' 101' ' ' ALA . . . -96.81 45.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.355 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . 169.98 -28.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.6 -56.31 5.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -158.05 -162.62 1.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 0.785 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.466 ' O ' ' OG ' ' A' ' 98' ' ' SER . . . -156.17 -91.91 0.09 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.536 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -74.88 -161.14 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.6 tp10 89.14 26.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 106' ' ' GLU . . . -57.9 -153.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.697 ' CG1' HG23 ' A' ' 7' ' ' VAL . 2.2 p -132.47 125.5 53.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.59 0.818 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.04 105.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.846 HD11 HG21 ' A' ' 7' ' ' VAL . 10.1 mt -99.17 136.81 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.22 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.484 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -92.82 83.85 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.173 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.695 ' CD2' HG22 ' A' ' 110' ' ' ILE . 0.9 OUTLIER -76.08 121.02 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 -179.97 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 -179.979 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.59 90.29 25.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.853 ' O ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.96 75.27 3.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.439 1.757 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 3' ' ' PRO . 1.1 p -164.52 148.17 9.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -179.93 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.508 ' O ' HG21 ' A' ' 108' ' ' VAL . . . -102.52 167.12 10.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.985 ' O ' HG13 ' A' ' 21' ' ' VAL . 6.4 p -152.59 157.3 40.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.039 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.6 t -95.06 122.23 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.581 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -29.01 -60.76 0.23 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.039 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.93 -84.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.708 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.0 t 85.69 29.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.633 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 23.4 p 172.67 151.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.39 44.08 97.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.881 ' CB ' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -111.32 -152.33 0.5 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.6 t -152.98 163.06 40.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.064 179.928 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.525 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 2.6 p-10 -58.6 112.33 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.42 34.42 14.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.881 HG21 ' CB ' ' A' ' 13' ' ' LEU . 3.4 t -83.88 93.29 7.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 110.404 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.695 HG22 ' HB ' ' A' ' 68' ' ' THR . 3.4 t -78.6 91.51 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.691 HG21 ' CG ' ' A' ' 9' ' ' PRO . 5.7 m -108.45 170.95 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -65.93 140.91 58.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.985 HG13 ' O ' ' A' ' 6' ' ' THR . 92.5 t -141.8 141.6 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.6 158.62 43.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.892 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 105.59 174.03 23.94 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.753 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.21 -162.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 0.801 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.483 ' HA2' ' CB ' ' A' ' 3' ' ' PRO . . . -60.53 -4.33 3.85 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.576 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER 50.59 62.11 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 0.742 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.638 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -90.14 -88.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 166.69 87.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.546 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 62.37 10.76 30.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 55.2 m -73.83 164.07 27.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 0.786 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.34 146.53 34.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.802 ' CD1' HD23 ' A' ' 97' ' ' LEU . 2.7 m-85 -145.11 77.96 1.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.67 129.33 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.588 HG22 HD21 ' A' ' 67' ' ' LEU . 28.3 t -69.66 138.74 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' OD1' ' A' ' 51' ' ' ASP . . . -112.31 -176.59 19.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.537 ' CB ' ' NH1' ' A' ' 70' ' ' ARG . 2.0 tp60 176.49 103.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.676 ' HB3' HD21 ' A' ' 45' ' ' LEU . 34.6 m -132.47 -179.1 5.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.276 -179.94 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.463 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -141.73 85.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.608 ' HB2' HD12 ' A' ' 45' ' ' LEU . 68.2 t90 -73.27 121.48 20.43 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.926 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.685 HG21 ' HB1' ' A' ' 91' ' ' ALA . 35.5 t -117.56 -117.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.537 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -57.91 175.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.5 m -66.1 90.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.41 -9.46 41.86 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.011 HG13 HD21 ' A' ' 77' ' ' LEU . 21.9 t -90.46 66.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.696 ' C ' HD23 ' A' ' 45' ' ' LEU . 4.4 tt -108.28 122.48 47.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.937 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -100.26 100.68 11.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.676 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -80.7 152.34 28.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 108.293 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 14.1 t30 -113.48 89.83 16.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.382 179.906 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.569 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 18.1 Cg_endo -75.1 44.03 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.42 3.04 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 53' ' ' SER . 4.0 p30 -45.65 -62.38 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.11 -47.6 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.985 179.94 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.554 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.1 m -38.61 155.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.934 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 p -146.32 140.36 26.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.655 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 2.7 p -127.3 153.23 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 2.5 m -112.02 151.9 28.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.388 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -80.21 173.66 12.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.634 ' O ' ' N ' ' A' ' 60' ' ' ASN . 9.4 p30 -132.78 120.72 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.23 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.534 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.75 -89.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.634 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.6 m-20 -36.7 -46.94 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.576 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 130.11 -2.48 5.89 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.5 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 28.9 t -76.07 137.73 40.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 0.812 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.892 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -74.45 157.95 34.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.3 p -160.15 105.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.429 HG23 HD12 ' A' ' 67' ' ' LEU . 1.6 t -176.62 173.69 1.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.563 ' HB3' HG12 ' A' ' 18' ' ' VAL . 19.9 m -88.52 122.54 32.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.802 ' HB2' HG21 ' A' ' 21' ' ' VAL . 11.0 mp -112.34 142.95 44.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.235 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.869 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.4 t -88.96 106.11 18.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.132 HG12 ' CE2' ' A' ' 112' ' ' PHE . 1.3 t -76.63 60.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.869 ' NE ' HG23 ' A' ' 68' ' ' THR . 2.3 mtm180 -42.55 132.51 3.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.539 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 7.1 tmm_? -100.09 -75.86 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.443 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -83.32 122.86 29.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 88' ' ' CYS . 8.6 p90 -169.76 -168.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 2.7 pm0 -108.7 123.83 49.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' GLY . . . -125.54 149.96 17.29 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.676 ' CZ ' ' CB ' ' A' ' 47' ' ' CYS . 35.9 p90 -107.31 131.83 53.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.011 HD21 HG13 ' A' ' 44' ' ' VAL . 1.2 mt -52.05 -41.16 62.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.733 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.8 OUTLIER 93.37 14.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -142.76 -42.74 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -110.85 -67.64 0.55 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.445 1.091 . . . . 0.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.746 HG23 ' N ' ' A' ' 82' ' ' ARG . 0.5 OUTLIER 178.27 -172.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 110.423 -179.975 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.746 ' N ' HG23 ' A' ' 81' ' ' THR . 0.0 OUTLIER -38.38 159.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.188 -179.905 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.937 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -168.66 -41.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 108.003 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -92.81 64.37 2.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.829 ' O ' HG23 ' A' ' 85' ' ' THR . 1.3 t -103.3 51.09 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 0.787 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.804 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -178.24 -156.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.248 179.938 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.804 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -54.42 101.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 20.9 p -57.09 -27.89 62.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 108.389 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.0 t -51.35 -21.45 2.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.374 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -83.11 -17.37 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 179.958 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.685 ' HB1' HG21 ' A' ' 40' ' ' VAL . . . -121.69 28.67 7.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.507 ' O ' ' O ' ' A' ' 91' ' ' ALA . . . 44.49 100.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.67 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -93.2 162.8 13.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 8.4 pt20 -152.61 150.17 29.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.518 ' H ' HD12 ' A' ' 110' ' ' ILE . 66.1 t -128.1 111.28 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -127.91 172.03 19.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.923 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -79.81 137.34 36.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.35 -179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.638 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -129.04 128.8 44.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.906 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -95.43 173.38 7.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.222 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.65 33.83 0.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -157.85 -41.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -82.68 -60.67 2.05 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.489 ' O ' ' O ' ' A' ' 102' ' ' GLY . 18.0 t30 34.59 -154.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.724 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 76.05 -146.91 34.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.77 17.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.591 1.837 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.429 ' HG2' ' N ' ' A' ' 97' ' ' LEU . 17.1 tp10 -117.89 -71.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.479 ' O ' ' HB ' ' A' ' 108' ' ' VAL . . . 138.74 -148.45 19.97 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 5' ' ' ALA . 17.6 t 77.7 70.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.34 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.48 107.87 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 1.061 HG21 HG11 ' A' ' 69' ' ' VAL . 3.8 mt -108.04 148.84 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.802 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -97.48 102.19 13.89 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.132 ' CE2' HG12 ' A' ' 69' ' ' VAL . 3.4 m-85 -91.79 130.87 37.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.18 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.973 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.685 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . 162.99 -51.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.773 ' C ' HG22 ' A' ' 4' ' ' THR . 18.2 Cg_endo -75.0 6.49 3.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.773 HG22 ' C ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 160.48 178.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.936 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.834 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . -105.37 173.25 6.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.936 ' HA ' HG21 ' A' ' 108' ' ' VAL . 19.9 p -153.0 156.4 38.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.439 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.976 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.6 t -93.25 135.04 29.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.53 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.54 -58.35 1.03 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.976 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.0 -168.46 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.455 ' C ' HG23 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -154.11 19.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.05 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.559 ' O ' HD12 ' A' ' 13' ' ' LEU . 51.9 p -177.57 64.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 110.041 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.995 ' HA3' HG21 ' A' ' 17' ' ' THR . . . -49.8 -28.49 11.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.626 HD23 ' C ' ' A' ' 113' ' ' ASN . 0.6 OUTLIER 46.63 20.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 0.8 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.488 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -139.92 114.64 9.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 10.0 p-10 -60.55 95.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.549 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 108.49 31.22 3.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.436 1.085 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.995 HG21 ' HA3' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -74.86 98.11 3.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 0.743 . . . . 0.0 110.457 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 7.4 t -83.25 113.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.945 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.816 HG21 ' CG ' ' A' ' 9' ' ' PRO . 3.7 m -136.36 174.24 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 153.16 44.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.864 HG13 ' O ' ' A' ' 6' ' ' THR . 22.8 t -150.08 146.53 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -145.21 158.31 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.855 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 96.98 -176.3 31.79 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 150.24 -156.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.52 -0.64 8.53 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.737 HD11 ' OD1' ' A' ' 60' ' ' ASN . 2.7 tp 46.36 72.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.698 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 10.4 tp60 -82.02 -98.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 162.25 51.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.79 72.74 1.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.467 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 3.7 t -156.43 163.42 39.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 110.349 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.26 153.94 39.61 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.737 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 5.1 m-85 -148.73 78.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 1.0 OUTLIER -58.1 119.81 7.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.08 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.672 HG21 HD22 ' A' ' 67' ' ' LEU . 34.6 t -56.59 160.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.429 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -148.88 156.38 26.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.932 ' CG ' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -149.06 120.66 8.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.489 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 9.5 m -130.0 172.9 11.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 108.273 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.586 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.09 154.85 47.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.636 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -79.52 137.61 37.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.051 179.933 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.685 ' HB ' HG12 ' A' ' 44' ' ' VAL . 85.4 t -109.49 -105.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.526 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -166.01 129.1 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 42' ' ' THR . . . . . 1.037 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.1 m 66.56 91.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 42' ' ' THR . . . 30.92 43.54 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.037 HG23 ' O ' ' A' ' 42' ' ' THR . 55.6 t -127.17 133.15 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 39' ' ' TRP . 3.9 tp -134.27 126.86 30.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.656 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -86.27 93.29 9.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.489 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.0 OUTLIER -79.79 147.86 31.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 -179.967 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.725 ' CG ' ' CD2' ' A' ' 73' ' ' PHE . 20.9 t-20 -113.39 95.14 34.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HD3' ' CD2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -75.04 34.84 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.445 1.761 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.684 ' HB3' ' OD1' ' A' ' 48' ' ' ASN . . . -124.54 0.08 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.7 OUTLIER -39.59 -42.26 1.15 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.96 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 21.4 m-85 62.78 -59.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 111.057 -179.923 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.3 m -31.7 146.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 66.2 p -158.33 139.02 12.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.817 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.3 p -139.68 -157.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.226 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.706 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -147.49 160.84 42.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.945 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.737 ' HB2' ' HE2' ' A' ' 32' ' ' TYR . . . -69.45 -179.64 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.708 ' O ' ' N ' ' A' ' 60' ' ' ASN . 53.1 p30 -137.24 132.89 34.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.189 . . . . 0.0 109.237 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.696 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -8.76 77.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.938 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.737 ' OD1' HD11 ' A' ' 26' ' ' LEU . 10.0 t30 151.99 -35.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.356 -179.955 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.643 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 118.07 -8.06 14.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.501 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -77.2 137.59 38.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 0.0 110.045 179.92 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.855 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -83.13 159.2 22.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.485 ' O ' ' HB ' ' A' ' 65' ' ' THR . 90.5 p -160.2 107.97 1.65 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.949 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.817 ' HB ' HG21 ' A' ' 55' ' ' VAL . 6.9 t -179.8 167.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.374 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.498 ' C ' HD23 ' A' ' 67' ' ' LEU . 66.8 p -90.81 116.14 28.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.058 179.922 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.769 HD21 HG23 ' A' ' 65' ' ' THR . 5.9 mt -101.1 159.82 14.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.852 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.9 t -101.11 92.34 4.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.435 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.039 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.0 t -68.96 67.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.852 ' NE ' HG23 ' A' ' 68' ' ' THR . 1.0 OUTLIER -65.52 141.72 58.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.762 ' HD3' HG22 ' A' ' 89' ' ' THR . 9.3 tmm_? -92.26 -68.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.401 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 22.8 t -63.69 103.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.96 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.725 ' CD2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -139.02 161.46 37.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.959 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.503 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -104.96 76.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.609 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -74.57 147.56 37.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 22.5 p90 -116.07 130.01 56.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 0.762 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.846 HD23 HG11 ' A' ' 44' ' ' VAL . 4.3 mp -40.08 -66.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.616 1.198 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER 159.58 -28.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.956 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 t0 174.6 54.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.87 -45.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.436 1.085 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.5 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -162.87 168.5 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.399 -179.952 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.5 ' N ' ' CG2' ' A' ' 81' ' ' THR . 16.7 ttm105 -130.74 119.45 22.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.679 ' CE3' HG21 ' A' ' 86' ' ' VAL . 37.4 m95 -48.33 -87.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.524 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 99.87 132.48 7.74 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.73 ' O ' HG23 ' A' ' 85' ' ' THR . 3.1 t 28.74 44.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 0.755 . . . . 0.0 110.42 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.679 HG21 ' CE3' ' A' ' 83' ' ' TRP . 8.9 p -89.78 140.41 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.459 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -73.47 101.87 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.765 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -52.49 -24.94 8.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 108.291 -179.969 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.762 HG22 ' HD3' ' A' ' 71' ' ' ARG . 1.8 t -69.89 -20.4 63.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -84.9 -27.03 26.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -119.94 18.63 12.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 34.64 61.95 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 1.9 p -52.08 -176.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.528 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 4.0 pm0 -143.95 159.72 42.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.243 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.952 HG21 HG13 ' A' ' 69' ' ' VAL . 2.5 t -130.0 119.2 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -136.62 175.22 21.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.917 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.691 HD23 ' CB ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -86.55 156.24 20.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 0.732 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.48 ' OG ' ' CB ' ' A' ' 103' ' ' ASN . 0.4 OUTLIER -138.92 123.01 17.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 179.992 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -115.27 -179.06 3.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 180.0 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.32 18.86 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.73 51.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -177.75 -34.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.48 ' CB ' ' OG ' ' A' ' 98' ' ' SER . 2.8 p30 -42.01 166.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 131.96 -158.87 23.07 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.06 111.28 3.29 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.5 OUTLIER 173.31 40.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 179.973 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.411 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -86.3 172.33 45.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.936 HG21 ' HA ' ' A' ' 6' ' ' THR . 21.8 t -97.34 110.5 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 0.725 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.77 107.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.524 HG13 HG12 ' A' ' 108' ' ' VAL . 7.1 mt -113.88 155.08 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.517 ' O ' ' HA ' ' A' ' 11' ' ' SER . 1.8 m -92.54 100.9 13.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.039 ' CE2' HG12 ' A' ' 69' ' ' VAL . 4.8 m-85 -88.27 18.26 4.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.626 ' C ' HD23 ' A' ' 13' ' ' LEU . 54.2 t30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.763 ' HB1' ' HA2' ' A' ' 25' ' ' GLY . . . 57.65 157.65 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 109.344 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 1.052 ' O ' HG23 ' A' ' 4' ' ' THR . 18.4 Cg_endo -75.0 -99.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.401 1.737 . . . . 0.0 111.086 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 4' ' ' THR . . . . . 1.052 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 168.65 167.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.449 1.093 . . . . 0.0 110.428 179.91 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.63 174.06 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.954 ' O ' HG13 ' A' ' 21' ' ' VAL . 69.9 p -149.37 152.13 35.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 110.358 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 21' ' ' VAL . 4.8 t -111.58 110.01 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.678 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -24.02 -65.84 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.989 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.893 ' HB2' HD21 ' A' ' 13' ' ' LEU . 18.1 Cg_endo -75.0 -89.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.549 1.815 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.599 ' HA ' HG23 ' A' ' 110' ' ' ILE . 4.4 t 85.86 21.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 110.085 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.482 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 51.4 p -173.2 147.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 110.011 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.03 35.38 87.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.438 1.086 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.893 HD21 ' HB2' ' A' ' 9' ' ' PRO . 29.2 mt -92.59 -142.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 0.794 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.48 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.3 OUTLIER -159.54 170.47 21.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.014 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.508 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 12.3 t70 -60.68 107.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.47 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 78.27 37.35 28.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.928 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.929 HG22 HG13 ' A' ' 19' ' ' VAL . 8.2 m -76.88 90.52 3.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.57 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.4 t -66.71 84.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.407 1.067 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.929 HG13 HG22 ' A' ' 17' ' ' THR . 1.3 m -94.4 166.33 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 65' ' ' THR . 7.6 mtpt -67.6 141.11 56.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.954 HG13 ' O ' ' A' ' 6' ' ' THR . 98.2 t -139.6 139.83 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -137.9 157.15 47.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.83 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 90.0 -166.66 32.58 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.564 1.165 . . . . 0.0 111.089 -179.932 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 141.97 -142.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 0.726 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.763 ' HA2' ' HB1' ' A' ' 2' ' ' ALA . . . -70.49 0.31 26.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.548 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.7 OUTLIER 42.82 65.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.697 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 18.7 tp60 -75.4 -99.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 162.11 54.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.99 71.95 1.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -157.93 163.02 38.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 110.364 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.26 152.71 36.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.892 ' HB3' HD23 ' A' ' 97' ' ' LEU . 2.1 m-85 -148.37 78.93 1.44 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.545 1.153 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -55.12 128.74 35.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.843 ' CG1' HD22 ' A' ' 67' ' ' LEU . 21.2 t -70.46 149.31 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -129.69 146.75 17.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.103 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 2.9 tp60 -134.6 112.6 10.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.77 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.572 ' C ' ' CE1' ' A' ' 73' ' ' PHE . 28.3 m -129.56 -175.36 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 108.315 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.963 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . . . -153.03 124.49 7.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.84 ' HB2' HD12 ' A' ' 45' ' ' LEU . 10.7 t90 -101.42 108.91 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.958 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.601 HG22 ' CB ' ' A' ' 91' ' ' ALA . 46.3 t -88.93 -115.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.574 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -56.31 -160.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.1 m -68.27 -51.18 47.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.34 39.95 2.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.6 HG13 HD21 ' A' ' 77' ' ' LEU . 46.9 t -126.79 52.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.737 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.84 HD12 ' HB2' ' A' ' 39' ' ' TRP . 1.3 tt -101.25 113.16 25.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.464 ' HB1' ' C ' ' A' ' 76' ' ' PHE . . . -102.5 157.32 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.482 ' O ' ' CA ' ' A' ' 75' ' ' GLY . 0.8 OUTLIER -118.12 152.06 36.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 108.259 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 15.0 t-20 -109.8 97.12 27.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.94 39.85 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.461 1.769 . . . . 0.0 111.064 179.943 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.575 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -133.71 5.0 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.57 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -40.35 -45.9 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 23.0 m-85 62.77 -59.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.055 -179.938 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.57 ' N ' ' O ' ' A' ' 51' ' ' ASP . 1.7 m -32.98 148.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.416 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 54.8 p -159.09 142.86 15.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.918 HG21 ' CG2' ' A' ' 65' ' ' THR . 1.2 p -142.18 -158.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.702 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.5 m -144.66 166.81 24.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.609 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -80.07 -177.77 6.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.689 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.8 p30 -137.51 135.63 36.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.689 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -11.76 80.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.689 ' N ' ' O ' ' A' ' 58' ' ' ASP . 8.3 t30 149.55 -34.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.523 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 115.67 -6.37 20.44 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -78.25 131.0 36.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.921 -179.902 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.83 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -76.6 163.23 27.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.527 ' O ' ' HB ' ' A' ' 65' ' ' THR . 18.0 p -164.44 114.72 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.918 ' CG2' HG21 ' A' ' 55' ' ' VAL . 5.0 t 178.03 -132.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.533 ' N ' ' OG1' ' A' ' 65' ' ' THR . 2.6 m -146.22 136.84 24.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.843 HD22 ' CG1' ' A' ' 34' ' ' VAL . 22.3 mt -114.59 134.56 54.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.891 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 1.2 t -74.46 98.27 3.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.828 HG12 ' CE2' ' A' ' 112' ' ' PHE . 72.5 t -69.22 68.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.239 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.891 ' CZ ' HG23 ' A' ' 68' ' ' THR . 1.3 mtm180 -61.42 119.88 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 73' ' ' PHE . 15.8 ttp180 -73.35 -64.21 1.03 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 92.7 p -57.91 79.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.033 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.963 ' CE2' ' HB3' ' A' ' 38' ' ' ALA . 10.3 t80 -52.6 160.11 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 73' ' ' PHE . 53.4 mt-10 -160.02 65.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -126.76 178.62 16.73 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' A' ' 78' ' ' PHE . 14.5 p90 -126.03 150.69 47.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.609 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 10.2 mt -36.73 -60.29 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.609 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER 155.02 -18.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.98 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -177.14 -33.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.911 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.91 -48.15 83.12 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.556 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -177.69 172.22 1.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 0.74 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.556 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.0 OUTLIER -111.18 144.36 40.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.549 ' HZ2' HG13 ' A' ' 44' ' ' VAL . 34.9 m95 -92.75 -63.63 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.945 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.6 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 74.47 158.31 5.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 19.52 79.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 0.801 . . . . 0.0 110.394 -179.971 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' ' 86' ' ' VAL . 1.5 t -116.19 99.42 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 88' ' ' CYS . 5.1 m-20 -47.56 109.38 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.779 ' C ' HG23 ' A' ' 89' ' ' THR . 0.8 OUTLIER -53.87 -168.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.35 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.91 HG22 ' HB2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER 67.65 -4.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.959 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -108.93 -30.86 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.601 ' CB ' HG22 ' A' ' 40' ' ' VAL . . . -123.11 4.4 9.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 93' ' ' CYS . . . 49.76 60.59 3.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 3.8 m -43.93 164.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 108.325 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.453 ' HB2' ' C ' ' A' ' 107' ' ' GLY . 0.7 OUTLIER -126.53 150.84 48.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.17 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 67' ' ' LEU . 90.9 t -135.79 98.0 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -118.43 -169.02 14.45 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.434 1.084 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.892 HD23 ' HB3' ' A' ' 32' ' ' TYR . 2.7 mp -115.11 156.49 25.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -165.87 155.0 11.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.052 179.955 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.422 ' CG ' ' HA3' ' A' ' 102' ' ' GLY . 0.0 OUTLIER -97.94 169.65 9.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.915 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.72 40.78 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.45 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.422 ' HA3' ' CG ' ' A' ' 99' ' ' ASP . . . -71.19 -57.04 6.43 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.494 1.122 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.12 -165.52 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -127.14 -76.07 0.22 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.562 1.163 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -167.71 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.454 1.766 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.631 ' CD ' HG22 ' A' ' 4' ' ' THR . 1.2 tp10 -165.66 -77.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.175 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.644 ' C ' HG23 ' A' ' 108' ' ' VAL . . . 146.21 -143.4 11.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.644 HG23 ' C ' ' A' ' 107' ' ' GLY . 2.9 t 80.62 77.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.32 107.85 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.38 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.737 HG21 HD12 ' A' ' 13' ' ' LEU . 2.4 mp -99.03 153.78 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -108.05 118.68 37.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.007 -179.98 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.91 ' HB2' HG22 ' A' ' 89' ' ' THR . 14.1 m-85 -90.73 122.57 33.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 t30 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.947 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.666 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -152.76 50.89 0.66 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.666 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.1 Cg_endo -75.04 -5.58 16.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.523 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 54.6 m -101.13 -7.82 22.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.56 1.162 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.801 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -69.94 117.49 11.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -146.61 156.61 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.444 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.9 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.1 t -115.61 149.35 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.497 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -39.56 -56.79 2.74 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 179.965 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.9 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.95 -156.66 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.561 1.821 . . . . 0.0 110.969 -179.942 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.517 ' C ' HG23 ' A' ' 110' ' ' ILE . 39.5 t -161.94 -23.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.545 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 1.4 p -169.66 168.11 9.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 64.35 31.43 80.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.995 HD11 HG21 ' A' ' 110' ' ' ILE . 5.7 mt -66.27 -142.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 0.74 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.2 t -166.23 158.16 13.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.957 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.427 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 37.5 t0 -53.04 90.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.69 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 94.87 44.05 3.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -64.25 77.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.4 -179.954 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 16' ' ' GLY . 12.2 t -71.73 91.56 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.495 HG21 ' CD ' ' A' ' 9' ' ' PRO . 3.7 m -118.82 -175.29 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 65' ' ' THR . 12.8 tttt -87.18 124.28 33.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.633 HG22 HG13 ' A' ' 7' ' ' VAL . 11.4 t -108.03 149.22 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.35 158.16 44.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.766 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 75.75 -158.39 49.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.801 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . . . 140.73 -128.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LEU . . . -77.97 4.16 58.7 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.499 ' N ' ' OH ' ' A' ' 32' ' ' TYR . 3.0 tp 39.89 68.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.517 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 35.9 mt-30 -83.79 -110.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 174.4 67.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.17 44.66 11.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.13 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.6 m -122.78 162.41 22.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 0.753 . . . . 0.0 110.374 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.98 156.18 28.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.607 ' CD2' ' HB2' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -142.63 73.68 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 -179.969 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.4 OUTLIER -59.98 114.32 2.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.672 HG22 HD23 ' A' ' 97' ' ' LEU . 94.3 t -48.81 155.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.55 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -135.03 -85.74 0.22 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.381 1.05 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.55 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER 72.66 108.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 110.297 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.559 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 27.0 m -123.54 -178.42 4.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 108.325 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -138.38 100.07 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.843 ' CB ' HD12 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -79.34 129.58 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 107.982 179.994 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.722 HG21 ' CZ2' ' A' ' 83' ' ' TRP . 4.9 t -116.02 -36.63 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -167.99 -175.71 2.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.4 m -61.32 90.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.91 -5.91 59.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.158 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.796 ' HA ' HD21 ' A' ' 77' ' ' LEU . 2.9 t -95.83 43.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.466 0.745 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.843 HD12 ' CB ' ' A' ' 39' ' ' TRP . 5.9 tt -109.16 116.82 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.807 ' HB3' ' CD1' ' A' ' 83' ' ' TRP . . . -103.16 117.18 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.559 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.0 OUTLIER -72.53 167.59 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.256 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.595 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 8.0 t-20 -119.86 70.39 14.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.55 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.6 Cg_endo -74.89 27.44 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.069 179.937 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -103.49 -17.66 15.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.592 ' OD2' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -67.39 -62.7 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.57 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 1.3 t80 79.63 -27.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.592 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 66.8 m -33.84 155.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.933 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.47 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 28.2 p -160.04 147.81 16.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.906 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.869 HG12 HD22 ' A' ' 97' ' ' LEU . 1.6 p -145.15 -161.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.691 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.8 m -138.27 159.67 41.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.553 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -75.62 -171.47 1.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 60' ' ' ASN . 57.0 p30 -144.57 137.31 26.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.657 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -15.67 83.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.669 ' N ' ' O ' ' A' ' 58' ' ' ASP . 5.5 t30 148.6 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.471 ' HA3' ' C ' ' A' ' 27' ' ' GLN . . . 114.41 -6.95 22.83 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.502 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 6.6 t -80.08 138.15 36.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 109.934 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.756 ' CB ' HD13 ' A' ' 97' ' ' LEU . . . -83.89 169.79 14.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.452 ' O ' ' HB ' ' A' ' 65' ' ' THR . 21.6 m -168.22 111.13 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.978 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.863 ' HB ' HG21 ' A' ' 55' ' ' VAL . 9.0 t -177.84 -144.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 110.36 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.504 ' N ' ' OG1' ' A' ' 65' ' ' THR . 50.2 m -134.12 123.06 23.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.55 ' HB2' HG21 ' A' ' 21' ' ' VAL . 5.6 mp -116.07 157.63 24.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.42 93.84 7.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.056 HG12 ' CE2' ' A' ' 112' ' ' PHE . 12.0 t -72.37 66.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.378 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -55.43 142.51 32.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.228 -179.863 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.581 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 3.4 tmm_? -99.17 -68.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.356 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.434 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 45.4 t -96.44 123.07 39.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.982 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.595 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 5.8 p90 -160.72 -175.85 5.2 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' HB3' ' N ' ' A' ' 85' ' ' THR . 1.4 pm0 -118.72 88.13 2.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.438 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -84.27 179.43 51.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -138.56 139.89 38.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.796 HD21 ' HA ' ' A' ' 44' ' ' VAL . 7.1 mp -75.27 -47.67 26.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER 81.86 15.76 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 -179.956 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -172.45 33.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.29 -63.73 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.572 HG23 ' N ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -177.38 175.13 1.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 110.392 -179.975 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 26.0 ttt180 -90.17 134.88 34.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.807 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -56.89 -79.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.939 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 121.88 159.97 10.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.833 ' O ' HG23 ' A' ' 85' ' ' THR . 5.5 t -60.81 66.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.612 ' N ' ' O ' ' A' ' 84' ' ' GLY . 9.9 p -117.8 161.55 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' HB3' HG22 ' A' ' 89' ' ' THR . 0.2 OUTLIER -73.22 122.27 21.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -76.38 -28.4 56.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 108.255 -179.953 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 2.5 t -49.26 -21.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -21.26 46.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -122.56 16.14 10.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 35.76 78.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 -179.935 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 5.6 p -65.86 175.66 1.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 108.308 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.571 HE22 HD11 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -126.92 139.24 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 179.951 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.042 HG11 HG13 ' A' ' 69' ' ' VAL . 1.1 p -121.51 121.49 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.66 171.02 37.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.869 HD22 HG12 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -97.45 157.64 15.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.764 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 33' ' ' ASP . 47.7 t -153.36 164.13 38.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -48.77 169.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.71 -14.45 21.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.721 ' HB3' ' OD1' ' A' ' 103' ' ' ASN . . . -102.02 -8.19 21.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.405 ' HA2' ' OG ' ' A' ' 98' ' ' SER . . . 72.54 36.79 58.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.721 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -84.2 150.96 25.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 75.2 68.35 1.56 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -74.89 132.86 16.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.419 1.747 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.4 mm-40 157.86 44.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 106' ' ' GLU . . . -47.05 -98.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.581 1.176 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.973 HG12 ' O ' ' A' ' 95' ' ' VAL . 10.6 p -168.27 109.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.45 100.4 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.995 HG21 HD11 ' A' ' 13' ' ' LEU . 6.3 mt -112.39 156.18 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.545 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 1.3 m -86.35 112.27 21.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.056 ' CE2' HG12 ' A' ' 69' ' ' VAL . 5.5 m-85 -90.28 129.87 36.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.2 t30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.988 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.89 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . -157.46 -179.6 1.14 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.89 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 18.1 Cg_endo -75.05 -156.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.582 1.832 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.64 ' CB ' ' O ' ' A' ' 3' ' ' PRO . 2.5 m 92.48 167.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . . . -86.42 148.93 25.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.955 ' O ' HG13 ' A' ' 21' ' ' VAL . 11.1 p -150.32 155.38 39.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.027 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.0 t -106.34 132.6 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.58 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.72 -60.53 0.75 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.027 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -75.04 -159.44 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.549 1.815 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 p -158.55 25.19 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.959 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.55 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 69.9 p -170.61 56.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.058 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.683 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -46.6 -31.45 5.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.55 ' CD1' ' O ' ' A' ' 11' ' ' SER . 0.8 OUTLIER 52.87 -76.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.683 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -36.89 122.85 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.937 -179.897 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.522 ' HA ' ' HG2' ' A' ' 71' ' ' ARG . 7.1 p-10 -58.01 92.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.681 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 99.82 40.6 3.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.837 ' O ' HG23 ' A' ' 69' ' ' VAL . 96.3 m -66.12 87.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.425 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.666 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.3 t -67.74 78.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.698 HG13 HG22 ' A' ' 17' ' ' THR . 0.6 OUTLIER -100.47 165.28 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.365 179.93 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.4 143.94 52.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.955 HG13 ' O ' ' A' ' 6' ' ' THR . 98.2 t -146.28 142.0 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.7 157.52 44.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.84 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 101.82 -172.4 22.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 145.01 -157.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.72 -2.84 3.81 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.554 1.159 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.659 HD11 ' OD1' ' A' ' 60' ' ' ASN . 1.1 tp 47.91 67.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.397 0.704 . . . . 0.0 109.237 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.713 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 47.8 tp60 -84.77 -98.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 161.82 79.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.908 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.36 69.9 1.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.449 1.093 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -153.47 153.49 32.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 0.767 . . . . 0.0 110.406 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.23 150.77 10.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.723 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 2.9 m-85 -150.58 79.85 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' SER . 8.3 t70 -60.79 119.63 8.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.44 1.088 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.009 HG13 HD13 ' A' ' 67' ' ' LEU . 71.2 t -56.29 159.21 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' HA2' ' CG ' ' A' ' 51' ' ' ASP . . . -143.48 148.25 19.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -139.09 111.88 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.603 ' CB ' HD21 ' A' ' 45' ' ' LEU . 21.9 m -123.8 -179.46 4.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 108.294 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.521 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -145.75 101.93 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.947 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -72.84 132.19 43.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.994 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.619 HG22 ' HB1' ' A' ' 91' ' ' ALA . 56.5 t -124.49 -111.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.547 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -59.97 -178.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.5 m -71.5 88.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 179.985 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.91 -10.06 40.49 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.903 HG13 HD13 ' A' ' 77' ' ' LEU . 7.5 t -90.45 86.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.947 HD12 ' HB2' ' A' ' 39' ' ' TRP . 6.3 tt -113.83 115.16 27.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.24 -179.936 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.941 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -82.85 97.81 8.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.509 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -81.87 142.78 32.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 108.235 -179.993 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.64 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 5.1 t-20 -110.1 96.84 27.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -75.01 35.16 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.77 . . . . 0.0 111.056 179.92 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -127.58 2.06 6.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -36.54 -38.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 13.3 m-85 62.26 -61.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.1 m -33.36 145.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 110.005 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.441 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 14.6 p -161.89 139.5 8.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.87 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.2 p -144.17 -154.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.688 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -144.51 161.6 38.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.723 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -71.34 -179.71 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.702 ' O ' ' C ' ' A' ' 59' ' ' ALA . 55.9 p-10 -137.01 134.65 36.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.702 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.12 82.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.659 ' OD1' HD11 ' A' ' 26' ' ' LEU . 6.7 t30 146.08 -35.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.611 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 117.04 -3.98 18.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.478 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -76.78 127.42 32.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 109.969 -179.993 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.19 158.64 28.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.476 ' O ' HG21 ' A' ' 55' ' ' VAL . 92.4 p -153.62 113.43 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.97 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.87 ' HB ' HG21 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.05 169.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.925 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.725 ' C ' HD23 ' A' ' 67' ' ' LEU . 7.6 m -94.18 125.85 39.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.009 HD13 HG13 ' A' ' 34' ' ' VAL . 3.4 mt -106.77 139.56 41.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.916 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.3 t -82.65 103.86 12.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.837 HG23 ' O ' ' A' ' 17' ' ' THR . 3.0 t -70.12 64.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.916 ' NE ' HG23 ' A' ' 68' ' ' THR . 11.3 mtm180 -65.21 127.44 31.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.561 ' CG ' ' H ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -84.78 -76.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.226 -179.926 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.561 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 46.1 t -55.58 99.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.64 ' CE2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -137.89 164.04 29.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.98 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.46 ' HB3' ' N ' ' A' ' 85' ' ' THR . 0.3 OUTLIER -121.31 70.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.616 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -58.9 168.95 5.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.497 ' O ' ' C ' ' A' ' 77' ' ' LEU . 5.9 m-85 -118.6 130.61 55.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.903 HD13 HG13 ' A' ' 44' ' ' VAL . 2.3 mm? -33.04 -62.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.583 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 0.2 OUTLIER 158.35 -23.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.968 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.39 -65.09 1.01 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.78 39.03 0.11 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.0 m -123.34 120.23 32.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 0.732 . . . . 0.0 110.459 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.55 112.39 19.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.941 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -48.65 -81.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 108.027 179.959 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 163.33 146.59 4.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 85' ' ' THR . 4.8 m -69.42 69.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.515 HG22 ' H ' ' A' ' 87' ' ' ASP . 9.8 p -115.87 170.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.811 ' HB3' HG22 ' A' ' 89' ' ' THR . 2.8 m-20 -60.81 89.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 71' ' ' ARG . 13.9 p -49.45 -24.88 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 -179.921 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.811 HG22 ' HB3' ' A' ' 87' ' ' ASP . 10.0 t -52.27 -27.02 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.346 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.56 -25.73 65.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.619 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -111.53 30.66 6.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 38.11 56.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.228 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.66 ' SG ' ' CG ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -42.64 162.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 108.324 179.984 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -135.73 151.14 49.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.931 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.525 HG12 ' CD1' ' A' ' 110' ' ' ILE . 9.7 p -132.94 117.59 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.477 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -132.34 -155.88 8.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -112.26 150.79 30.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 0.708 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -135.23 153.02 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.976 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -87.84 177.41 7.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.95 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.94 7.54 7.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.48 -8.84 9.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 69.31 40.87 80.36 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.13 . . . . 0.0 111.048 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 102' ' ' GLY . 4.9 t30 -55.88 -164.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.737 . . . . 0.0 109.325 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.44 135.04 13.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.685 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.5 Cg_endo -75.0 -153.13 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.481 1.78 . . . . 0.0 111.017 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.685 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 7.7 tt0 103.89 150.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.477 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . -168.1 -82.13 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.942 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.719 HG11 ' HA ' ' A' ' 6' ' ' THR . 1.2 p 178.82 132.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 0.781 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.44 107.91 12.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.525 ' CD1' HG12 ' A' ' 95' ' ' VAL . 2.3 mp -107.58 159.45 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 0.8 OUTLIER -88.84 87.09 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.075 179.929 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.681 ' CE2' HG12 ' A' ' 69' ' ' VAL . 23.3 m-85 -72.27 171.1 12.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.789 ' HB3' HG21 ' A' ' 89' ' ' THR . 4.5 t30 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.448 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . 39.15 62.36 4.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.243 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.4 Cg_endo -74.96 137.33 21.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.49 1.784 . . . . 0.0 111.063 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.497 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -105.87 -5.15 19.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 110.403 -179.941 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.942 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -78.47 135.9 37.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.604 ' O ' HG13 ' A' ' 21' ' ' VAL . 66.6 p -153.56 152.99 31.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.978 HG22 HG22 ' A' ' 21' ' ' VAL . 3.2 t -106.17 122.26 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.783 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -29.38 -70.43 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.783 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.98 -89.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.696 ' HA ' HG23 ' A' ' 110' ' ' ILE . 1.4 p 89.99 36.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 110.01 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.666 ' O ' HD23 ' A' ' 13' ' ' LEU . 26.3 t -164.72 144.4 7.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.6 35.9 17.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.076 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.831 HD22 HG21 ' A' ' 17' ' ' THR . 11.8 mt -87.04 -93.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 109.23 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.52 ' OG ' ' N ' ' A' ' 15' ' ' ASP . 2.0 t 51.94 -178.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.52 ' N ' ' OG ' ' A' ' 14' ' ' SER . 11.4 t0 52.18 29.75 6.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' HA2' ' N ' ' A' ' 70' ' ' ARG . . . 57.62 47.24 89.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.4 1.062 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.831 HG21 HD22 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -61.96 93.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 110.385 -180.0 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.984 HG12 ' HB3' ' A' ' 66' ' ' SER . 1.8 t -70.73 88.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.67 HG13 HG23 ' A' ' 17' ' ' THR . 0.8 OUTLIER -100.9 166.52 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.232 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -66.46 115.87 6.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.911 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.978 HG22 HG22 ' A' ' 7' ' ' VAL . 73.4 t -115.6 139.53 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.237 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.01 164.77 26.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.85 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 85.22 -168.37 42.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.935 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.942 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . . . 148.72 -133.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 0.0 109.349 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.43 2.13 58.77 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.118 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 1.9 tp 43.6 56.44 4.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.763 . . . . 0.0 109.233 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 7.3 mm-40 -85.25 -99.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 173.69 96.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.588 1.18 . . . . 0.0 109.23 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 43.27 40.05 4.4 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.514 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 15.7 m -111.3 153.95 25.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.426 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.37 145.95 13.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.823 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 3.5 m-85 -151.69 81.03 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 53' ' ' SER . 1.2 t70 -59.16 132.45 54.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.223 -179.944 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.598 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 20.8 t -65.15 151.94 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -131.86 -162.4 10.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.7 OUTLIER 162.24 112.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.469 0.747 . . . . 0.0 110.308 179.969 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 32.7 m -130.3 178.24 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 108.313 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.856 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . . . -145.76 124.73 12.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.581 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -96.75 127.15 42.46 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.946 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.714 HG22 ' CB ' ' A' ' 91' ' ' ALA . 32.8 t -113.96 -27.88 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 0.7 OUTLIER 175.94 173.53 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.9 m -55.35 92.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.98 -12.64 45.33 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.495 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 2.2 t -95.83 39.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.246 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.946 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -96.52 98.41 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.95 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -87.61 111.54 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.432 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -84.93 162.31 19.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 108.238 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 35.2 t30 -115.53 86.97 16.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.188 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 41.57 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.531 1.806 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.445 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.72 5.58 2.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.522 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -38.37 -47.91 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 66.46 -59.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.97 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.598 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.2 m -37.1 156.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.945 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.502 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 59.9 p -167.25 145.89 4.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.925 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.957 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.2 p -151.3 -158.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.718 ' H ' HG22 ' A' ' 55' ' ' VAL . 3.2 m -139.81 171.17 14.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.823 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -90.39 174.48 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.597 1.186 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.8 p30 -128.7 120.59 26.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.543 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.62 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.5 m-20 -34.73 -46.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.372 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.563 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 125.06 6.96 6.15 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -86.23 135.63 33.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 0.802 . . . . 0.0 109.995 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.85 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -74.7 165.92 24.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.5 m -159.5 108.98 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.957 ' HB ' HG21 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.84 169.43 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.404 -179.992 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.984 ' HB3' HG12 ' A' ' 18' ' ' VAL . 4.4 m -86.92 124.86 33.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.733 ' HB2' HG21 ' A' ' 21' ' ' VAL . 10.3 mp -113.25 131.45 55.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.757 HG23 ' NE ' ' A' ' 70' ' ' ARG . 3.9 t -77.73 97.69 5.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.426 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.048 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.8 t -67.2 67.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.757 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -58.0 132.75 54.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.942 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 29.9 ttp180 -91.76 -77.76 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 5.2 t -90.7 132.56 35.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 110.016 179.932 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 85' ' ' THR . 3.7 p90 -174.59 -163.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.707 ' HA ' ' CA ' ' A' ' 84' ' ' GLY . 2.4 mt-10 -99.38 141.52 32.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' O ' ' A' ' 83' ' ' TRP . . . -152.97 -178.68 27.83 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 179.956 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.617 ' CZ ' ' CB ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -153.92 142.65 20.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 111.035 179.931 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.53 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 7.0 mp -67.89 -47.8 67.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.3 t80 77.2 14.39 1.92 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 -179.907 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -173.61 33.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -169.34 -62.04 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.646 HG23 ' N ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -173.48 179.1 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 0.819 . . . . 0.0 110.417 -179.975 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.646 ' N ' HG23 ' A' ' 81' ' ' THR . 0.0 OUTLIER -77.8 161.01 27.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.926 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.522 ' NE1' HG11 ' A' ' 86' ' ' VAL . 6.4 t-105 -152.01 -172.81 4.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.707 ' CA ' ' HA ' ' A' ' 74' ' ' GLU . . . 119.25 -167.65 13.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.753 ' O ' HG23 ' A' ' 85' ' ' THR . 1.1 t 39.51 39.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 0.0 110.388 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.522 HG11 ' NE1' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -142.43 154.07 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.844 ' HB2' HG22 ' A' ' 89' ' ' THR . 24.2 p-10 -80.06 96.1 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 1.4 p -40.43 -31.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 108.293 -179.936 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.844 HG22 ' HB2' ' A' ' 87' ' ' ASP . 15.3 t -44.43 -25.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.512 1.132 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -67.82 -26.54 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.714 ' CB ' HG22 ' A' ' 40' ' ' VAL . . . -129.83 31.16 4.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.578 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 25.62 84.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.352 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.856 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 2.7 p -64.08 -172.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 108.297 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 4.7 pm0 -147.89 154.9 41.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.656 HG21 ' HA ' ' A' ' 69' ' ' VAL . 86.0 t -123.58 110.6 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.165 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 106' ' ' GLU . . . -128.28 167.9 20.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.458 1.099 . . . . 0.0 111.041 179.936 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 32' ' ' TYR . 4.3 mm? -91.66 154.94 18.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.11 137.18 42.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -104.06 175.14 5.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.02 36.2 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -165.44 -41.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.961 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -80.56 -55.68 3.35 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.439 1.087 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.491 ' O ' ' O ' ' A' ' 102' ' ' GLY . 22.7 t30 36.75 -158.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 109.371 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 78.56 -175.69 54.73 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 148.81 36.21 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.558 1.82 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.475 ' CG ' ' HA3' ' A' ' 96' ' ' GLY . 44.7 mp0 -99.5 -78.6 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 134.91 43.4 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.541 1.151 . . . . 0.0 111.093 -179.931 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 94' ' ' GLN . 95.6 t -105.75 72.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.0 110.36 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 1.022 HG21 HG11 ' A' ' 69' ' ' VAL . 22.0 mt -110.58 150.96 12.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.51 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -89.18 104.79 17.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.071 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.048 ' CE2' HG12 ' A' ' 69' ' ' VAL . 30.0 m-85 -95.19 126.93 40.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.072 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 32.8 t30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.995 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.56 65.87 8.74 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.977 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.876 ' O ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo -75.08 104.91 1.98 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.876 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER 179.97 147.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.464 -179.985 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.626 ' HB3' ' HA2' ' A' ' 96' ' ' GLY . . . -92.16 166.13 12.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.784 ' HA ' HG11 ' A' ' 108' ' ' VAL . 35.6 p -145.46 148.68 33.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.896 HG22 HG22 ' A' ' 21' ' ' VAL . 3.0 t -116.13 116.62 52.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.681 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -31.68 -65.88 0.2 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.982 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.681 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.01 -88.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.783 ' H ' HD11 ' A' ' 13' ' ' LEU . 3.4 t 69.76 43.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.57 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 53.8 p -167.93 120.62 0.88 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.41 45.76 95.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.783 HD11 ' H ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -150.81 -110.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.776 ' CB ' ' CD1' ' A' ' 112' ' ' PHE . 0.6 OUTLIER 42.45 -143.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.99 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.507 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 28.3 t0 52.07 49.68 20.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.17 18.91 65.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.556 HG21 ' HB2' ' A' ' 13' ' ' LEU . 2.4 m -86.35 111.2 20.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.831 HG12 ' HB2' ' A' ' 66' ' ' SER . 2.4 t -85.01 95.78 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -106.28 166.79 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.939 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -66.21 124.59 23.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.896 HG22 HG22 ' A' ' 7' ' ' VAL . 2.4 t -124.39 126.35 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.397 1.061 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.04 152.58 42.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.886 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 106.49 -171.53 17.49 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.097 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.771 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 141.99 -154.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 0.805 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -3.62 6.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.579 1.174 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.693 HD11 ' OD1' ' A' ' 60' ' ' ASN . 35.5 tp 45.72 67.59 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 0.792 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.673 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 2.0 tp-100 -84.51 -105.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 164.55 69.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.63 67.11 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.075 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 31' ' ' ALA . 12.3 m -155.36 164.98 38.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.376 -179.904 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' N ' HG22 ' A' ' 30' ' ' THR . . . -73.08 153.55 40.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 3.8 m-85 -147.21 78.43 1.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -48.42 127.62 13.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.888 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.769 HG21 HD22 ' A' ' 67' ' ' LEU . 70.4 t -70.26 149.42 10.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.682 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -126.71 -172.66 13.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.534 1.146 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.559 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 176.22 107.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.297 -179.964 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.529 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 13.0 m -120.33 174.43 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.659 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -118.91 124.38 46.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.467 ' N ' HE22 ' A' ' 94' ' ' GLN . 0.4 OUTLIER -93.25 101.88 14.15 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.98 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.868 HG21 ' CZ2' ' A' ' 83' ' ' TRP . 59.3 t -87.25 -111.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.59 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -92.07 33.94 1.04 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.6 OUTLIER 70.66 -56.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.435 ' N ' HG22 ' A' ' 42' ' ' THR . . . -63.78 -15.61 58.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.407 1.067 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.473 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 6.2 t -124.24 120.51 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -130.5 106.33 8.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.71 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -85.13 98.19 10.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.529 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -76.34 152.96 36.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 179.942 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.656 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 45.9 t30 -113.66 91.67 21.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.528 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 18.0 Cg_endo -74.99 35.26 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -134.03 5.46 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -42.26 -45.64 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.485 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.2 OUTLIER 64.09 -56.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 51' ' ' ASP . 3.6 m -32.53 148.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.2 p -144.14 142.93 30.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.063 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.726 HG23 ' CG2' ' A' ' 65' ' ' THR . 0.8 OUTLIER -135.81 177.97 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.48 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.8 m -138.74 153.81 48.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.778 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -70.48 171.72 9.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.709 ' O ' ' C ' ' A' ' 59' ' ' ALA . 49.9 p30 -132.22 129.84 40.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.604 1.19 . . . . 0.0 109.23 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.709 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -4.61 73.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.708 ' N ' ' O ' ' A' ' 58' ' ' ASP . 13.1 t30 156.34 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.778 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 124.81 -10.75 7.92 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.492 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 48.2 t -75.93 132.81 40.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -81.1 164.74 22.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.358 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' A' ' 65' ' ' THR . 20.3 p -167.99 111.53 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 -179.952 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.726 ' CG2' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 177.49 172.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.997 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.831 ' HB2' HG12 ' A' ' 18' ' ' VAL . 77.5 p -85.0 124.07 31.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.886 ' HB2' HG21 ' A' ' 21' ' ' VAL . 21.3 mt -119.0 139.7 51.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.67 ' HB ' HG22 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -85.36 113.2 21.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.378 -179.979 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.671 HG11 ' HB ' ' A' ' 110' ' ' ILE . 2.0 t -87.51 61.72 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.641 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -48.4 127.05 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.24 -179.956 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.642 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 1.3 ttm180 -87.25 -76.24 0.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.4 t -74.15 107.06 6.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.056 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.656 ' CE2' ' HB2' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -151.37 -164.72 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.592 ' N ' ' CD2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -124.73 119.83 30.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.469 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -123.65 149.52 16.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.618 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 13.7 p90 -102.54 130.75 49.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 0.811 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.634 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 7.5 mp -43.0 -65.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER 153.22 -22.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 -179.913 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.22 -68.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -169.32 31.11 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 82' ' ' ARG . 37.2 m -133.96 172.09 13.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.485 0.756 . . . . 0.0 110.449 179.949 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.516 ' N ' HG22 ' A' ' 81' ' ' THR . 3.0 ptp180 -164.5 148.26 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 -179.898 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.868 ' CZ2' HG21 ' A' ' 40' ' ' VAL . 39.7 m95 -73.2 -62.27 1.53 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 -180.0 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.538 ' HA2' ' CB ' ' A' ' 74' ' ' GLU . . . 82.18 139.31 3.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.767 ' O ' HG23 ' A' ' 85' ' ' THR . 1.4 t 29.91 41.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 84' ' ' GLY . 2.4 p -97.84 146.63 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 179.965 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.586 ' HB2' HG22 ' A' ' 89' ' ' THR . 2.6 p30 -79.24 114.64 18.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.942 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 5.1 m -65.03 -37.45 87.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.332 179.967 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.586 HG22 ' HB2' ' A' ' 87' ' ' ASP . 4.7 t -48.89 -25.76 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -78.72 -20.08 50.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.393 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.593 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -133.48 26.67 4.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.593 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 23.81 77.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 58.5 m -58.56 174.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 179.984 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 4.9 pm0 -135.02 157.36 47.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 35' ' ' GLY . 7.3 p -131.13 107.95 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.626 ' HA2' ' HB3' ' A' ' 5' ' ' ALA . . . -122.22 165.5 15.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.436 1.085 . . . . 0.0 111.065 179.973 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.623 ' CD2' ' HB2' ' A' ' 5' ' ' ALA . 1.3 mm? -88.57 151.16 22.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.4 t -146.78 123.93 11.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.574 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -100.96 173.23 6.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 -179.994 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.11 36.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.59 -39.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.951 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.559 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -79.17 -54.63 4.01 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.498 1.123 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.559 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.3 p30 37.23 -163.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 126.44 -149.76 17.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -169.89 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.562 1.822 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 94' ' ' GLN . 2.3 mp0 -71.13 -141.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -131.53 -56.85 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.784 HG11 ' HA ' ' A' ' 6' ' ' THR . 5.9 p -169.51 150.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.08 116.96 27.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 179.986 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.718 HG23 ' HA ' ' A' ' 10' ' ' SER . 1.5 mp -96.83 139.89 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.235 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.498 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -80.53 106.31 12.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.95 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.776 ' CD1' ' CB ' ' A' ' 14' ' ' SER . 0.8 OUTLIER -83.11 25.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 111.052 179.99 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.718 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 1' ' ' ALA . . . 87.21 132.05 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.974 ' O ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.03 159.38 41.31 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.511 1.795 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.974 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER 176.84 163.73 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.397 179.991 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.569 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . -98.35 158.15 15.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.631 ' O ' HG13 ' A' ' 21' ' ' VAL . 77.9 p -140.23 154.53 46.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.007 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.9 t -116.45 136.11 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.553 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.69 -59.32 0.75 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.411 179.973 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.007 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.09 -177.9 3.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.451 1.764 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 110' ' ' ILE . 8.8 p -140.52 -21.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 111' ' ' SER . 82.5 p -176.24 174.21 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 70.73 25.2 76.12 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.061 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 9' ' ' PRO . 4.7 mt -84.6 -150.01 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.6 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 2.0 t -152.64 140.85 20.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.51 ' CA ' ' HG2' ' A' ' 71' ' ' ARG . 62.6 t0 -42.47 117.51 1.03 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.411 ' HA2' ' OG1' ' A' ' 68' ' ' THR . . . 85.56 31.65 21.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.674 HG21 HD13 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -77.16 96.08 4.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 110.328 -179.917 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.998 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.4 t -87.22 86.49 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.709 HG23 ' CG1' ' A' ' 7' ' ' VAL . 2.9 m -110.67 162.41 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.989 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -53.76 138.61 35.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 -179.958 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.809 ' CG2' HG13 ' A' ' 7' ' ' VAL . 46.2 t -141.65 121.37 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -121.98 150.32 42.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.964 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.734 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 109.31 173.57 21.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 179.956 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 158.36 -155.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.11 -1.65 7.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.488 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 12.6 tp 52.47 67.03 1.05 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.421 0.718 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.519 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 9.2 mm-40 -92.3 -101.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 178.4 96.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 37.8 39.92 0.68 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.429 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -109.43 157.62 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.378 -179.95 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.35 147.1 8.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.887 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 2.0 m-85 -151.32 82.07 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 98' ' ' SER . 1.8 t70 -59.16 127.87 34.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.776 HG22 HD13 ' A' ' 67' ' ' LEU . 64.5 t -58.83 159.09 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.58 147.03 16.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.664 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -138.93 119.29 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.497 ' HB3' HD21 ' A' ' 45' ' ' LEU . 22.2 m -129.56 -178.18 4.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 108.319 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -147.77 123.98 10.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.81 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -98.33 133.2 43.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 107.969 -179.996 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.591 HG12 ' N ' ' A' ' 41' ' ' ASP . 58.8 t -123.65 -111.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.591 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -62.4 179.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.578 1.174 . . . . 0.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.8 m -68.74 90.96 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.74 -5.88 51.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.554 1.158 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.959 HG12 HG23 ' A' ' 81' ' ' THR . 25.1 t -91.75 70.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.761 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.81 HD12 ' HB2' ' A' ' 39' ' ' TRP . 2.7 tt -117.03 112.79 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.545 ' N ' HG21 ' A' ' 81' ' ' THR . . . -92.01 133.07 36.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -96.94 154.74 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 108.288 179.988 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.668 ' CG ' ' CD2' ' A' ' 73' ' ' PHE . 2.7 t30 -114.85 89.73 20.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.591 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 18.2 Cg_endo -75.09 42.07 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.56 1.821 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.32 2.55 3.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -40.63 -50.99 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.981 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 74.65 -58.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.996 -179.941 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.648 ' HB3' HG21 ' A' ' 34' ' ' VAL . 2.4 m -36.35 152.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.968 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.443 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 10.7 p -159.45 144.13 15.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 109.962 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.87 HG21 ' CG2' ' A' ' 65' ' ' THR . 2.1 p -147.05 -156.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.707 ' H ' HG22 ' A' ' 55' ' ' VAL . 3.2 m -139.75 170.22 16.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.887 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -91.74 177.79 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.653 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.0 p30 -131.03 119.6 22.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.536 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.89 -88.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.923 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.653 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.1 m-20 -34.91 -46.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.592 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 125.63 5.88 6.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 5.0 m -88.55 139.84 30.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -69.24 166.36 18.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 65' ' ' THR . 9.0 p -165.24 99.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.87 ' CG2' HG21 ' A' ' 55' ' ' VAL . 12.2 t -177.39 165.27 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 13.1 m -84.23 109.08 17.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.776 HD13 HG22 ' A' ' 34' ' ' VAL . 17.1 mt -104.98 152.07 23.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.998 ' HB ' HG22 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -96.66 114.49 26.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.347 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.867 HG13 ' CG1' ' A' ' 95' ' ' VAL . 1.1 t -86.78 57.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.918 ' NE ' HG23 ' A' ' 68' ' ' THR . 3.1 mtm180 -43.35 129.29 4.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.628 ' HA ' ' HB3' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -79.37 -75.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -180.0 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.602 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -58.56 100.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.984 -179.986 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.668 ' CD2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -137.86 152.3 48.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 179.992 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -87.31 98.3 11.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 179.958 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.425 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -69.47 121.68 11.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.547 1.155 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.591 ' CD1' ' HD2' ' A' ' 49' ' ' PRO . 92.2 m-85 -102.71 123.51 46.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 110.998 -179.94 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.884 HD23 ' N ' ' A' ' 81' ' ' THR . 1.2 mt -25.5 -75.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.9 t80 67.55 4.19 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.3 t0 177.74 -35.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.945 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.73 57.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.959 HG23 HG12 ' A' ' 44' ' ' VAL . 38.4 m -148.44 98.98 2.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 0.743 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.03 97.52 11.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 1.161 ' CZ3' HG21 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -99.0 -89.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.989 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 81.68 111.36 0.38 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.748 HG22 ' O ' ' A' ' 85' ' ' THR . 0.7 OUTLIER 31.61 86.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.412 -179.947 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 1.161 HG21 ' CZ3' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -139.5 169.26 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.419 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.2 OUTLIER -90.03 119.58 30.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.628 ' HB3' ' HA ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -59.79 -46.39 89.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 108.263 -179.992 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 t -49.9 -23.02 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.437 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -88.06 -22.27 24.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.085 . . . . 0.0 110.383 -179.952 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.537 ' HB2' ' CZ2' ' A' ' 83' ' ' TRP . . . -119.04 17.17 13.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.173 . . . . 0.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 36.9 50.45 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -50.77 -178.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 108.269 -179.961 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.455 ' N ' ' OE1' ' A' ' 94' ' ' GLN . 13.4 pm0 -147.39 160.78 42.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 179.982 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.867 ' CG1' HG13 ' A' ' 69' ' ' VAL . 10.4 p -133.82 101.19 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.468 ' CA ' ' HA3' ' A' ' 107' ' ' GLY . . . -111.32 -164.75 18.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.59 HD12 ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -105.67 153.95 21.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -139.29 153.74 47.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.98 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.35 171.1 9.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.361 179.908 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.51 -16.54 10.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.42 -5.79 55.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.82 19.42 78.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -93.35 -170.91 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 109.246 -179.931 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.97 65.29 3.64 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -167.25 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.4 ' O ' ' HA3' ' A' ' 96' ' ' GLY . 0.2 OUTLIER 69.31 165.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.343 179.962 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.468 ' HA3' ' CA ' ' A' ' 96' ' ' GLY . . . -178.83 -75.37 0.06 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.657 HG11 HG23 ' A' ' 7' ' ' VAL . 13.3 p -170.78 128.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 0.773 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -83.01 120.49 25.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.96 HD11 ' HB ' ' A' ' 7' ' ' VAL . 16.7 mt -115.66 147.97 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.574 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -111.59 124.49 52.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.965 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.802 ' CZ ' ' O ' ' A' ' 69' ' ' VAL . 3.1 m-85 -102.12 131.09 48.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.969 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.916 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . -178.9 -177.19 0.22 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.916 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 18.5 Cg_endo -74.94 157.96 42.71 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.559 1.82 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.764 HG22 ' C ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 166.24 170.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.437 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -100.33 161.44 13.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.963 ' O ' HG13 ' A' ' 21' ' ' VAL . 78.4 p -148.26 154.85 40.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.951 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.887 HG13 HG22 ' A' ' 21' ' ' VAL . 1.9 t -99.39 152.72 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.501 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -55.27 -56.53 27.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.477 179.957 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.886 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.97 161.7 38.41 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.483 1.78 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.541 ' C ' HG23 ' A' ' 110' ' ' ILE . 3.8 m -133.89 4.97 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 179.963 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 111' ' ' SER . 89.7 p -176.32 157.84 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 109.976 179.957 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 13' ' ' LEU . . . 65.87 38.17 94.03 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.447 1.092 . . . . 0.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.922 HD11 ' CG2' ' A' ' 110' ' ' ILE . 53.4 mt -61.39 -142.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.9 t -171.13 151.56 3.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.422 ' HA ' ' HG3' ' A' ' 71' ' ' ARG . 6.1 p-10 -56.35 88.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.068 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 89.45 43.9 5.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.872 HG21 ' HB3' ' A' ' 13' ' ' LEU . 2.2 t -74.9 89.23 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 0.778 . . . . 0.0 110.365 179.947 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.59 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.3 t -78.82 81.18 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.916 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.634 ' CG2' HG12 ' A' ' 7' ' ' VAL . 10.3 m -101.11 177.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -72.09 139.58 48.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.963 HG13 ' O ' ' A' ' 6' ' ' THR . 86.4 t -141.96 137.45 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -136.18 160.81 37.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.874 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 104.51 171.09 24.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 156.55 -157.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.46 -0.84 5.13 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.432 1.083 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.569 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER 49.83 55.65 9.08 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.485 0.756 . . . . 0.0 109.353 179.96 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.511 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.4 mm-40 -81.97 -98.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 175.08 87.95 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 56.08 16.08 12.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.2 m -83.74 152.02 24.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 0.734 . . . . 0.0 110.346 -179.956 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -58.63 145.71 38.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.677 ' O ' HG12 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -148.19 80.13 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.97 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -47.31 137.03 8.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.544 HG22 HD21 ' A' ' 67' ' ' LEU . 16.2 t -78.72 139.98 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.16 135.77 9.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.524 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 1.5 tp60 -134.47 111.87 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 34.0 m -127.46 -174.43 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.601 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -144.4 101.24 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.542 ' HB2' HD12 ' A' ' 45' ' ' LEU . 6.0 t90 -84.75 134.65 34.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 107.945 -179.991 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.925 ' CG2' ' HB1' ' A' ' 91' ' ' ALA . 75.5 t -126.25 -40.22 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.418 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 2.1 m-20 -169.31 179.98 3.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 64.8 m -58.46 93.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.378 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.8 -10.17 52.29 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.478 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.1 t -98.32 44.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.597 HD23 ' C ' ' A' ' 45' ' ' LEU . 5.9 tt -114.26 94.3 4.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.08 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.939 ' HB2' ' CG2' ' A' ' 81' ' ' THR . . . -84.11 122.55 28.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.542 ' HB2' ' CG ' ' A' ' 78' ' ' PHE . 1.1 m -89.22 161.78 16.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.486 1.116 . . . . 0.0 108.287 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 45.9 t30 -117.74 80.79 14.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 18.0 Cg_endo -75.09 36.76 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 110.935 -179.89 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.625 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -130.13 -0.41 4.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.585 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -61.41 -63.39 1.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.625 ' CE2' ' O ' ' A' ' 50' ' ' ALA . 9.1 m-85 77.39 -30.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.538 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 18.7 m -35.68 149.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.028 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 t -144.31 145.79 32.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.994 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 32' ' ' TYR . 7.4 p -135.14 169.02 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.562 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.4 m -128.59 142.06 51.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.372 1.045 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -68.68 171.5 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.9 p30 -132.29 121.12 23.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.529 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.69 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.651 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.8 m120 -37.57 -45.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.569 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 127.88 -0.43 6.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.945 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.472 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -78.87 140.12 38.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 0.746 . . . . 0.0 109.994 179.95 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.874 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -72.12 159.42 34.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' A' ' 65' ' ' THR . 24.9 p -161.31 105.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 -179.934 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.58 ' HB ' HG23 ' A' ' 55' ' ' VAL . 2.2 t -177.88 174.82 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 4.5 m -90.26 116.04 27.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.685 ' HB2' HG21 ' A' ' 21' ' ' VAL . 9.8 mp -105.02 142.93 33.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.664 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 1.8 t -91.56 99.97 12.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.776 HG12 ' CE2' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -78.35 66.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.664 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -62.44 141.2 58.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.252 -179.972 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.614 ' HB3' ' CD2' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -110.26 -71.08 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.18 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.422 ' H ' ' HG3' ' A' ' 71' ' ' ARG . 0.3 OUTLIER -62.07 103.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.017 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.654 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -156.08 -160.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.183 . . . . 0.0 110.947 -179.992 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -117.0 103.05 9.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.642 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -67.16 121.65 16.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.922 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.593 ' O ' ' C ' ' A' ' 77' ' ' LEU . 75.7 m-85 -97.54 119.94 37.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 0.8 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.94 HD23 ' N ' ' A' ' 81' ' ' THR . 1.1 mt -23.04 -78.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.542 ' CG ' ' HB2' ' A' ' 47' ' ' CYS . 20.9 t80 64.06 5.54 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.923 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -174.39 -36.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.56 54.85 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.9 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.94 ' N ' HD23 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -153.38 105.34 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.371 179.938 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.434 ' HB2' HD21 ' A' ' 77' ' ' LEU . 12.6 ttt180 -103.09 97.98 7.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.405 1.065 . . . . 0.0 110.238 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -100.81 -106.47 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -179.963 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.687 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 121.72 -149.13 17.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.6 m -50.54 75.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.758 . . . . 0.0 110.399 -179.978 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.687 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.5 OUTLIER -141.12 163.94 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.606 ' HB2' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -89.37 121.87 32.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.961 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.654 ' SG ' ' CZ ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -59.71 -30.42 68.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 108.273 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.606 HG22 ' HB2' ' A' ' 87' ' ' ASP . 1.8 t -50.84 -17.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -92.72 -15.25 26.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.925 ' HB1' ' CG2' ' A' ' 40' ' ' VAL . . . -126.9 12.46 7.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 42.37 89.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.612 ' CB ' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -62.69 -176.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 108.308 -179.924 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.511 ' OE1' ' CA ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -159.22 142.52 14.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.342 -179.929 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 1.013 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.2 p -132.86 123.64 49.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.364 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.458 ' HA3' ' HA2' ' A' ' 107' ' ' GLY . . . -143.0 -166.51 11.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.918 ' O ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -82.07 156.41 24.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.742 . . . . 0.0 109.291 -179.948 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.88 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -156.33 119.2 4.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.78 172.77 7.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.71 26.88 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.383 179.982 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -147.63 -42.81 0.17 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.572 ' O ' ' ND2' ' A' ' 103' ' ' ASN . . . -81.98 -61.95 1.97 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 111.063 179.935 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.572 ' ND2' ' O ' ' A' ' 102' ' ' GLY . 0.0 OUTLIER 37.4 -163.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.568 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 90.8 -170.74 35.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 118.86 5.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.924 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.91 31.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.458 ' HA2' ' HA3' ' A' ' 96' ' ' GLY . . . -92.54 153.52 21.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 1.013 HG12 ' O ' ' A' ' 95' ' ' VAL . 13.6 p -81.59 114.36 22.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -66.32 113.97 5.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.143 . . . . 0.0 109.38 179.927 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.922 ' CG2' HD11 ' A' ' 13' ' ' LEU . 95.8 mt -121.83 154.19 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.512 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -84.37 117.97 23.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 -179.984 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.776 ' CE2' HG12 ' A' ' 69' ' ' VAL . 23.2 m-85 -98.11 127.37 44.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.449 ' OD1' ' NH2' ' A' ' 71' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.926 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.717 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . 79.8 172.13 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.955 ' O ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo -75.05 165.83 30.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.424 1.749 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.955 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 179.77 157.86 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.472 -179.962 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . . . -98.72 168.75 9.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.444 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 26.6 p -151.63 157.49 42.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 179.989 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.847 HG22 HG23 ' A' ' 21' ' ' VAL . 13.9 t -105.71 119.25 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.696 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -33.46 -66.57 0.21 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.409 179.962 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.696 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.96 -163.86 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.525 ' HA ' HD13 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -161.82 36.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.996 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.766 ' OG ' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -140.74 94.27 2.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.04 179.989 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.67 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -71.48 -0.1 36.86 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.41 1.069 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.766 HD21 ' OG ' ' A' ' 11' ' ' SER . 4.5 mt -13.54 -63.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.777 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.5 t -75.83 96.24 3.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 110.04 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.482 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 7.3 p-10 -45.02 108.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.65 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 92.2 32.74 8.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.435 1.084 . . . . 0.0 110.96 179.927 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.492 HG21 ' HA2' ' A' ' 12' ' ' GLY . 1.3 t -74.8 95.13 2.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 0.752 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.609 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.2 t -68.15 75.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.8 OUTLIER -82.14 165.37 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 65' ' ' THR . 8.9 tttt -62.94 135.81 57.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.847 HG23 HG22 ' A' ' 7' ' ' VAL . 1.1 t -127.76 142.15 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.918 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.76 148.58 33.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.864 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 97.69 -171.75 26.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.937 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.763 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 145.18 -155.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 0.787 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.29 -3.42 3.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.477 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 46.99 66.56 0.97 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 0.765 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.686 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 67.1 tp60 -76.77 -99.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 163.0 46.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.06 71.53 1.0 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.443 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -156.81 158.41 36.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.787 . . . . 0.0 110.341 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.54 151.08 21.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.711 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 2.8 m-85 -148.68 79.2 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.6 OUTLIER -56.59 131.37 48.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.593 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 2.6 t -66.38 161.57 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.563 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -138.13 -171.97 12.38 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.573 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 174.25 115.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 0.807 . . . . 0.0 110.258 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.553 ' O ' ' HB3' ' A' ' 93' ' ' CYS . 5.1 m -122.76 171.5 9.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 108.341 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.526 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -141.55 165.63 26.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.618 ' HE1' ' NE2' ' A' ' 94' ' ' GLN . 21.0 m95 -118.59 121.36 40.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.008 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.542 HG21 ' CG ' ' A' ' 83' ' ' TRP . 10.3 t -88.76 -127.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.947 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.695 ' O ' HG22 ' A' ' 42' ' ' THR . 3.9 t0 -114.11 145.45 41.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 42' ' ' THR . . . . . 1.006 HG22 HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER 81.2 19.83 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.446 -179.973 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.05 0.62 89.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.006 HG23 HG22 ' A' ' 42' ' ' THR . 4.6 t -49.14 142.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.561 HD12 ' CZ2' ' A' ' 39' ' ' TRP . 2.9 tt -134.67 106.12 6.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.461 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -102.82 126.2 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 1.3 m -91.46 156.34 17.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.347 1.029 . . . . 0.0 108.24 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.769 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 16.6 t-20 -107.6 97.66 20.91 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -74.97 36.22 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.454 1.765 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.75 8.27 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -36.57 -41.42 0.3 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.41 -61.82 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.934 179.985 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.593 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 4.3 m -35.48 151.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 52.9 p -158.35 143.99 16.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.956 HG21 ' CG2' ' A' ' 65' ' ' THR . 0.6 OUTLIER -146.4 -162.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.966 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.699 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.2 m -146.32 163.97 33.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.941 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.711 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -73.87 -179.84 3.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.702 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.5 p30 -137.02 134.35 36.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.702 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.41 80.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.662 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.2 t30 148.51 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.584 1.177 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.635 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 121.15 -8.1 10.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -75.9 134.81 40.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 0.783 . . . . 0.0 109.979 -179.978 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.864 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -81.62 161.78 23.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.511 ' O ' ' HB ' ' A' ' 65' ' ' THR . 98.3 p -163.25 117.36 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.956 ' CG2' HG21 ' A' ' 55' ' ' VAL . 3.1 t 177.46 -128.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.566 ' N ' ' OG1' ' A' ' 65' ' ' THR . 23.5 m -151.76 135.68 16.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.0 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.769 HD22 HG21 ' A' ' 21' ' ' VAL . 6.6 mp -118.1 136.09 53.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.227 -179.952 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.609 ' HB ' HG22 ' A' ' 18' ' ' VAL . 8.8 t -80.65 105.34 11.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.199 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.9 t -77.04 63.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.65 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -49.57 126.52 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.59 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 10.6 ttm180 -67.01 -76.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.461 ' HA ' ' N ' ' A' ' 87' ' ' ASP . 16.5 p -57.3 118.32 4.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 179.953 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.769 ' CZ ' ' HB2' ' A' ' 48' ' ' ASN . 6.9 t80 -119.06 138.81 52.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.508 ' HA ' ' HA3' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -148.26 68.09 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.02 -161.15 28.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.573 1.171 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.662 ' CE1' ' HA ' ' A' ' 81' ' ' THR . 5.8 t80 -129.49 152.0 49.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.918 HD12 ' CZ2' ' A' ' 83' ' ' TRP . 1.6 mt -60.56 -53.54 56.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER 156.31 -16.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 170.36 39.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -134.81 -53.17 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.523 1.139 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.662 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 0.6 OUTLIER 173.28 171.14 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.78 . . . . 0.0 110.392 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.612 ' C ' ' CG ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -95.6 168.99 10.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.918 ' CZ2' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -171.8 -82.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 0.0 108.047 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.634 ' O ' ' HB3' ' A' ' 73' ' ' PHE . . . 70.01 0.79 29.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.597 HG21 ' HB3' ' A' ' 91' ' ' ALA . 12.0 t 37.55 29.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.783 HG13 ' N ' ' A' ' 87' ' ' ASP . 5.1 p 31.03 -139.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.783 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -22.75 94.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.753 ' O ' ' N ' ' A' ' 92' ' ' ALA . 19.9 m -41.59 -44.94 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 108.342 -179.996 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.713 HG21 ' C ' ' A' ' 113' ' ' ASN . 0.2 OUTLIER -39.18 -27.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 179.967 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 88' ' ' CYS . 4.8 m -67.64 -28.59 67.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.778 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . -135.82 -40.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.778 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 94.12 67.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 37' ' ' CYS . 1.8 m -52.36 -176.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 108.364 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.618 ' NE2' ' HE1' ' A' ' 39' ' ' TRP . 17.8 pm0 -131.26 156.07 46.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.573 HG23 ' HG2' ' A' ' 36' ' ' GLN . 3.3 p -132.18 128.01 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -140.92 -170.83 12.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.731 HD21 HG12 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -109.5 156.0 20.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 1.2 t -137.02 157.56 46.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.99 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.415 ' OD1' ' HB2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -100.08 -174.36 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.19 3.43 15.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.06 -13.59 15.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 69.24 34.04 74.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' A' ' 102' ' ' GLY . 2.6 m120 -51.8 -173.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.1 140.77 43.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -90.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 60.4 51.7 5.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 -179.954 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.28 -102.48 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.43 1.081 . . . . 0.0 111.039 179.931 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.439 HG11 ' H ' ' A' ' 7' ' ' VAL . 4.9 p -169.05 134.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.5 113.61 9.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 1.003 HG21 HG11 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -103.5 154.28 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 12' ' ' GLY . 59.3 m -94.1 100.17 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.043 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 1.199 ' CE2' HG12 ' A' ' 69' ' ' VAL . 32.9 m-85 -86.37 171.49 11.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.94 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.713 ' C ' HG21 ' A' ' 89' ' ' THR . 40.3 t30 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.556 0.217 . . . . 0.0 110.446 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 97' ' ' LEU . . . -98.44 156.76 16.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.739 ' O ' HG13 ' A' ' 21' ' ' VAL . 26.5 p -151.62 157.15 41.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.001 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.1 t -109.75 136.63 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.544 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.62 -58.78 0.98 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.001 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -74.99 175.58 11.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.558 1.82 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.452 ' HA ' HG12 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -159.09 16.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.623 1.202 . . . . 0.0 110.009 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 111' ' ' SER . 20.4 p 167.56 159.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.441 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 65.77 35.82 91.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.897 HD12 HG11 ' A' ' 69' ' ' VAL . 4.6 mt -93.8 -149.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -150.92 168.1 25.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.586 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 13.4 p-10 -63.59 94.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.613 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 95.84 35.94 5.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.558 1.161 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.683 ' O ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -66.32 80.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 0.757 . . . . 0.0 110.437 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 16' ' ' GLY . 6.2 t -72.21 96.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.849 HG21 ' CG ' ' A' ' 9' ' ' PRO . 33.4 m -120.32 178.82 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -65.99 140.33 58.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.039 HG11 HD22 ' A' ' 67' ' ' LEU . 73.7 t -143.16 141.22 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.39 1.056 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -145.98 154.54 42.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.854 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 109.67 171.96 20.5 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.538 1.149 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.49 -163.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.28 -6.84 2.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.559 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 54.87 59.7 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.527 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 20.7 mm-40 -86.8 -98.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 176.17 93.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.54 17.7 13.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.075 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.0 m -81.5 164.14 22.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 0.809 . . . . 0.0 110.457 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.4 145.89 29.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.541 ' CD1' HD23 ' A' ' 97' ' ' LEU . 3.7 m-85 -143.75 77.12 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -45.52 117.83 1.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.16 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.626 HG21 ' HG ' ' A' ' 67' ' ' LEU . 73.6 t -58.43 153.73 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.98 153.57 24.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.552 ' HG3' HG23 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -146.15 119.78 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.35 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.512 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 19.6 m -123.12 178.23 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.837 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -128.6 108.33 10.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -87.43 111.78 21.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 107.998 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 41' ' ' ASP . 83.9 t -100.54 -106.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.648 ' N ' HG12 ' A' ' 40' ' ' VAL . 8.4 t0 -89.16 39.43 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 41' ' ' ASP . 1.1 m 65.79 -66.02 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.43 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -63.66 -14.17 53.91 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.619 ' HA ' HD11 ' A' ' 77' ' ' LEU . 2.9 t -115.9 93.66 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.412 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 8.1 tt -120.98 107.72 13.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.718 ' HB3' ' HD1' ' A' ' 83' ' ' TRP . . . -94.66 102.04 13.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.512 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -74.89 157.29 35.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 108.254 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.602 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 7.5 t-20 -114.2 91.06 21.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 41.26 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.443 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -134.58 2.85 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.483 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -45.7 -56.1 5.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.476 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.95 -55.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.956 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.489 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.9 m -31.89 149.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.3 p -141.7 131.67 24.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.948 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.588 HG23 ' HB ' ' A' ' 65' ' ' THR . 6.3 p -115.77 145.95 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.6 m -104.94 146.53 28.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -79.62 166.25 22.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.5 p30 -126.57 120.33 29.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.632 1.207 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.06 -89.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.619 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.1 t-20 -36.57 -46.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.559 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.14 1.32 6.27 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.459 1.1 . . . . 0.0 111.059 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -79.11 132.89 36.73 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.443 0.731 . . . . 0.0 110.014 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.854 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -65.16 159.21 24.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.0 p -162.31 106.21 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.958 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.658 HG23 ' N ' ' A' ' 66' ' ' SER . 0.5 OUTLIER 178.1 -177.92 0.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.658 ' N ' HG23 ' A' ' 65' ' ' THR . 0.8 OUTLIER -94.02 124.82 38.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.039 HD22 HG11 ' A' ' 21' ' ' VAL . 5.1 mp -114.54 141.16 48.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.701 HG23 ' NE ' ' A' ' 70' ' ' ARG . 5.1 t -82.26 110.26 17.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.897 HG11 HD12 ' A' ' 13' ' ' LEU . 4.6 t -84.61 63.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.701 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -37.18 154.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.705 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 4.4 tmm_? -110.82 -63.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.463 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 97.0 p -117.8 145.44 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.932 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 52.3 p90 -178.89 -165.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 110.955 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HA ' ' C ' ' A' ' 84' ' ' GLY . 2.6 pt-20 -111.95 117.4 32.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -113.88 172.87 14.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 82' ' ' ARG . 1.5 t80 -149.81 140.31 22.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 111.076 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.637 ' O ' ' HB2' ' A' ' 78' ' ' PHE . 4.3 mm? -49.8 -70.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.637 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 67.8 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 76' ' ' PHE . 32.7 ttp180 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.718 ' HD1' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -65.88 -78.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 107.977 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 124.25 161.8 11.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 85' ' ' THR . 1.3 m -65.54 68.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 110.347 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.558 HG22 ' H ' ' A' ' 87' ' ' ASP . 8.5 p -126.32 172.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.558 ' H ' HG22 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -65.58 136.8 56.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.614 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -95.0 -22.83 17.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 108.281 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.423 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 2.5 t -52.33 -23.77 6.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -22.78 49.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.513 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -115.08 18.12 16.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 35.42 69.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.837 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -51.63 -179.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.293 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 15.7 pm0 -148.69 150.95 34.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.553 ' CG1' HG21 ' A' ' 7' ' ' VAL . 12.6 p -131.74 121.72 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.426 ' HA3' ' CG ' ' A' ' 106' ' ' GLU . . . -138.62 -174.21 13.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.467 1.105 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.863 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -83.35 145.44 29.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.751 . . . . 0.0 109.357 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.863 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -137.24 137.15 38.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.434 ' OD1' ' CB ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.434 ' CB ' ' OD1' ' A' ' 99' ' ' ASP . 9.3 p-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -42.43 167.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.594 1.184 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.3 22.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.426 ' CG ' ' HA3' ' A' ' 96' ' ' GLY . 27.5 mm-40 -80.64 -156.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.27 29.38 0.11 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.408 1.068 . . . . 0.0 111.061 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.76 HG12 ' O ' ' A' ' 108' ' ' VAL . 2.7 t -105.03 78.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.34 104.73 5.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.554 HG21 ' CD1' ' A' ' 13' ' ' LEU . 1.8 mt -109.34 141.33 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.457 ' HB3' ' CB ' ' A' ' 11' ' ' SER . 0.9 OUTLIER -85.38 108.17 17.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.916 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.791 ' CE1' HG12 ' A' ' 69' ' ' VAL . 12.9 m-30 -85.89 145.09 27.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 112' ' ' PHE . 62.0 t30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.462 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -100.55 168.74 9.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.918 ' O ' HG13 ' A' ' 21' ' ' VAL . 16.7 p -151.8 157.91 42.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.033 HG12 ' HD2' ' A' ' 9' ' ' PRO . 10.0 t -100.01 119.74 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.579 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -27.79 -60.34 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.393 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.033 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.07 -91.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.493 1.786 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.698 ' HA ' HG23 ' A' ' 110' ' ' ILE . 2.2 p 89.83 24.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.036 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.546 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 87.5 p -176.17 157.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.078 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.14 41.71 47.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.715 HD21 ' HB2' ' A' ' 9' ' ' PRO . 52.7 mt -99.74 -145.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.48 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.6 t -162.52 162.44 27.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.503 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 6.7 p-10 -57.32 98.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.474 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 94.1 39.3 4.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.655 HG21 ' HB3' ' A' ' 13' ' ' LEU . 2.9 m -80.77 91.33 5.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.8 t -71.24 90.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -108.66 172.27 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -77.08 143.11 39.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.918 HG13 ' O ' ' A' ' 6' ' ' THR . 91.0 t -137.15 138.66 45.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -137.8 157.1 47.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.775 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 101.67 -179.74 27.89 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 150.61 -160.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.79 -1.24 2.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.566 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.4 tp 47.86 62.59 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.804 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 6.6 mm-40 -89.97 -99.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.235 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 178.22 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.469 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 58.39 13.95 18.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 31' ' ' ALA . 20.0 m -74.29 165.3 25.42 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.53 0.782 . . . . 0.0 110.356 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.42 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -86.03 146.98 26.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.698 ' HD2' ' HB2' ' A' ' 63' ' ' ALA . 7.6 m-85 -143.19 77.68 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -50.66 122.59 7.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.615 HG12 ' OD2' ' A' ' 51' ' ' ASP . 97.0 t -65.2 149.55 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.78 145.31 15.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.613 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -130.19 113.58 14.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 0.742 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 4.6 m -124.87 169.2 12.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 108.274 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.47 104.89 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.072 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.448 ' CD1' ' O ' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -77.59 119.86 21.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 107.978 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.682 HG11 ' CZ2' ' A' ' 83' ' ' TRP . 16.4 t -109.97 -27.4 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.413 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -177.88 172.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.4 m -54.71 90.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 102.31 -6.85 53.63 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.098 . . . . 0.0 110.957 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.413 ' HB ' ' N ' ' A' ' 41' ' ' ASP . 2.7 t -98.42 39.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 105' ' ' PRO . 0.6 OUTLIER -98.55 111.54 23.87 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.925 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -86.57 100.0 12.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.376 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.504 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -82.35 145.43 29.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 108.303 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.613 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 30.6 t30 -116.09 80.38 9.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.99 26.47 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.614 ' O ' ' CG ' ' A' ' 52' ' ' PHE . . . -114.26 0.51 14.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.615 ' OD2' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -48.71 -42.87 36.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 50' ' ' ALA . 9.1 m-85 70.12 -49.22 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.451 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -35.13 151.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 t -151.03 138.45 19.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.908 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.017 HG23 ' HB ' ' A' ' 65' ' ' THR . 10.3 p -122.91 149.39 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 57' ' ' ALA . 1.3 m -106.31 148.76 27.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.508 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -77.2 171.12 15.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.9 p30 -132.2 121.06 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.512 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.35 -89.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.1 t-20 -36.98 -44.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.566 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.68 0.47 7.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.122 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 8.6 m -77.06 135.81 38.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 0.731 . . . . 0.0 109.955 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.38 157.1 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 0.0 109.35 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.407 ' O ' ' HB ' ' A' ' 65' ' ' THR . 21.5 p -155.89 110.68 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 1.017 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.94 166.74 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.4 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 10.0 p -88.73 127.88 35.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.697 HD22 HG11 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -110.2 144.86 38.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.703 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 9.1 t -84.77 99.65 11.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.39 1.056 . . . . 0.0 110.386 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.966 HG12 ' CE2' ' A' ' 112' ' ' PHE . 19.8 t -72.34 63.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.216 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.703 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.1 OUTLIER -63.21 129.72 41.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.503 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 5.1 tmm_? -89.46 -72.54 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.4 p -70.55 96.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CE2' ' HB2' ' A' ' 48' ' ' ASN . 4.2 p90 -138.1 156.53 47.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -92.22 98.73 11.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.605 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -97.91 150.44 19.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 5.0 m-85 -119.13 136.28 54.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.732 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 5.8 mp -55.55 -49.77 71.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.496 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.571 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.324 -0.251 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.925 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 45.4 m95 -77.62 -66.68 0.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 0.0 107.974 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.575 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 87.95 126.87 2.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 85' ' ' THR . 0.8 OUTLIER 23.86 81.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 110.327 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.7 p -128.67 150.77 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -80.96 118.31 22.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.67 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -63.96 -40.11 95.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 108.354 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.0 t -54.18 -24.51 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.3 m -82.95 -19.62 36.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.537 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -126.67 23.13 6.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 30.11 56.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.253 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.593 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 1.6 p -51.83 -175.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 108.241 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.495 ' CB ' ' C ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -146.49 159.19 43.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.34 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.922 HG12 HD12 ' A' ' 110' ' ' ILE . 3.1 p -135.21 98.27 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.491 ' HA3' ' CB ' ' A' ' 106' ' ' GLU . . . -116.18 177.08 16.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.0 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -80.74 155.37 26.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 0.742 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 1.0 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -144.99 130.31 18.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.965 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.579 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.579 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 91.02 173.95 43.86 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.44 ' HB3' HD11 ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.01 128.73 11.7 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.555 1.819 . . . . 0.0 110.972 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.491 ' CB ' ' HA3' ' A' ' 96' ' ' GLY . 1.1 tp10 -79.37 -55.66 4.9 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 112.81 15.22 9.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 108' ' ' VAL . 15.0 t -71.99 70.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.584 0.814 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.95 118.15 7.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.246 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.949 HD11 ' CG2' ' A' ' 7' ' ' VAL . 88.5 mt -121.09 149.33 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.546 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -93.48 100.47 12.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.966 ' CE2' HG12 ' A' ' 69' ' ' VAL . 5.0 m-85 -85.07 15.07 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 112' ' ' PHE . 1.3 t30 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.496 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -103.19 161.26 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.854 ' O ' HG13 ' A' ' 21' ' ' VAL . 1.8 p -153.27 162.52 41.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.437 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.083 HG12 ' HD2' ' A' ' 9' ' ' PRO . 5.4 t -115.72 133.94 60.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.595 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -32.31 -61.44 0.32 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 110.392 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.083 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.01 -84.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER 86.47 24.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.986 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.414 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 61.2 p -178.61 139.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 72.97 33.45 59.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.95 HD12 HG11 ' A' ' 69' ' ' VAL . 8.3 mt -94.45 -151.3 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.805 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.23 171.76 18.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.523 ' CB ' ' HG3' ' A' ' 71' ' ' ARG . 30.7 t0 -67.2 100.1 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' OG1' ' A' ' 68' ' ' THR . . . 100.86 27.64 7.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.721 HG21 ' HB3' ' A' ' 13' ' ' LEU . 2.1 m -78.48 80.08 4.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 110.36 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.802 HG22 ' HB ' ' A' ' 68' ' ' THR . 10.4 t -72.61 94.87 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.651 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.4 OUTLIER -116.09 169.88 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.15 131.59 51.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.854 HG13 ' O ' ' A' ' 6' ' ' THR . 73.6 t -134.59 139.75 47.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.88 154.21 46.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.851 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 107.47 171.51 22.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.84 ' HB1' ' HG ' ' A' ' 97' ' ' LEU . . . 155.48 -161.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.68 -4.63 3.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.551 1.157 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.547 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.1 tp 53.34 60.41 3.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.438 0.728 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.527 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 7.9 mm-40 -84.99 -99.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 174.47 90.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.12 19.92 18.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 1.2 m -85.38 164.02 18.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.415 ' N ' ' CG2' ' A' ' 30' ' ' THR . . . -76.78 147.54 37.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.637 ' O ' HG12 ' A' ' 55' ' ' VAL . 3.1 m-85 -145.95 79.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -48.83 118.73 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.654 HG22 HD21 ' A' ' 67' ' ' LEU . 48.5 t -54.62 155.44 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.215 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.478 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -136.15 -169.15 11.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.389 1.056 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.771 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.1 OUTLIER 172.17 120.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 0.734 . . . . 0.0 110.243 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 11.4 m -134.48 172.98 12.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.606 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -145.16 127.14 15.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.916 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 44.3 t90 -79.06 129.32 34.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.024 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.577 HG21 ' NE1' ' A' ' 83' ' ' TRP . 88.7 t -114.34 -102.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.55 ' HB3' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -56.62 -162.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -76.0 -46.1 31.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.76 32.14 5.28 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.573 HG11 ' HZ2' ' A' ' 83' ' ' TRP . 13.8 t -124.5 127.35 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.8 tt -132.64 102.17 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.643 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -74.58 104.48 5.29 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.482 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -84.02 159.51 21.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.579 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 8.6 t-20 -114.47 86.01 11.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -74.94 39.22 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.78 2.99 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -42.92 -52.04 5.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.393 1.058 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 65.81 -54.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.8 m -34.12 152.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 p -139.77 137.13 34.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 110.059 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 32' ' ' TYR . 3.1 p -125.66 160.04 32.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 57' ' ' ALA . 1.5 m -117.37 152.63 34.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -84.1 170.19 14.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.608 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.3 p30 -129.53 120.54 25.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.618 1.199 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.62 -90.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.39 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.608 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.9 m120 -35.4 -46.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.547 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.68 0.39 6.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 111.089 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 67.2 m -78.26 137.09 37.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.777 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.851 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -68.33 161.86 26.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' A' ' 65' ' ' THR . 27.5 p -164.86 101.93 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.064 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.427 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.7 OUTLIER -179.98 174.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 110.431 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.723 ' HB3' HG12 ' A' ' 18' ' ' VAL . 16.2 m -84.47 120.48 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.952 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.714 ' HB2' HG21 ' A' ' 21' ' ' VAL . 6.1 mp -114.73 138.49 50.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.259 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 1.062 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -76.96 117.88 19.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 110.425 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.024 HG12 ' CE2' ' A' ' 112' ' ' PHE . 11.9 t -87.47 63.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 1.062 ' NE ' HG23 ' A' ' 68' ' ' THR . 1.0 OUTLIER -60.9 140.43 57.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.573 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 0.4 OUTLIER -110.7 -74.95 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.081 . . . . 0.0 110.359 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.2 t -69.0 83.08 0.32 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.552 1.158 . . . . 0.0 109.923 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.615 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -132.33 150.48 52.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.498 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 2.3 pt-20 -77.55 120.17 22.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.592 1.182 . . . . 0.0 110.386 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.587 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -110.16 150.53 17.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.57 ' CE2' ' HD2' ' A' ' 82' ' ' ARG . 7.3 m-85 -113.39 133.78 54.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.622 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 10.6 mp -37.63 -60.95 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.622 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.4 t80 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.57 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.643 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 13.6 m95 -96.85 -61.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 108.017 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.498 ' HA2' ' CB ' ' A' ' 74' ' ' GLU . . . 102.77 144.81 14.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.768 ' O ' HG23 ' A' ' 85' ' ' THR . 3.8 t 30.98 49.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.727 . . . . 0.0 110.355 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.447 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -80.34 119.69 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.556 ' HB3' HG22 ' A' ' 89' ' ' THR . 1.1 m-20 -72.32 103.94 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.638 ' O ' ' N ' ' A' ' 92' ' ' ALA . 64.9 m -47.09 -38.92 12.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 108.273 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 87' ' ' ASP . 14.6 t -59.07 -26.16 64.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 87' ' ' ASP . 30.6 m -77.13 -28.56 54.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.916 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -132.4 35.65 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 21.63 62.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.206 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.606 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -54.74 -171.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.092 . . . . 0.0 108.35 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.509 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -144.52 158.35 43.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.088 . . . . 0.0 110.302 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.95 ' CG1' HD12 ' A' ' 110' ' ' ILE . 7.6 p -140.3 111.98 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.11 -171.61 12.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.952 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -72.66 154.46 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 0.754 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.952 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -143.22 95.44 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.022 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.499 ' HB3' ' CA ' ' A' ' 98' ' ' SER . 20.0 p30 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.17 -146.27 18.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.429 ' HB3' HD13 ' A' ' 45' ' ' LEU . 18.4 Cg_endo -74.99 95.19 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.525 1.802 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 179.14 36.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.26 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -88.55 170.06 38.15 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.823 HG12 ' O ' ' A' ' 95' ' ' VAL . 11.3 p -95.6 119.06 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.633 0.843 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.53 110.75 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.226 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.95 HD12 ' CG1' ' A' ' 95' ' ' VAL . 63.7 mt -112.8 147.95 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.381 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -98.33 103.18 15.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.024 ' CE2' HG12 ' A' ' 69' ' ' VAL . 29.0 m-85 -86.46 129.11 34.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.239 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.555 0.217 . . . . 0.0 110.456 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . -112.6 160.27 18.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.687 ' O ' HG13 ' A' ' 21' ' ' VAL . 2.6 p -153.27 165.12 36.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.984 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.6 t -96.16 135.18 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.538 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -38.25 -58.34 1.53 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.393 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.984 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -74.87 175.73 10.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.439 1.757 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.717 ' C ' HG23 ' A' ' 110' ' ' ILE . 10.1 p -153.36 16.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.045 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.506 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 80.9 p 176.39 161.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.34 35.68 90.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.061 HD12 HG11 ' A' ' 69' ' ' VAL . 4.6 mt -89.46 -143.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 0.783 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.38 161.19 16.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.484 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 51.8 t0 -64.74 94.64 0.13 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.432 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 93.37 34.51 6.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.077 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.827 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -82.39 96.89 8.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 110.384 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.648 HG12 ' HB3' ' A' ' 66' ' ' SER . 2.7 t -75.26 101.56 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.603 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -114.18 169.06 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.065 . . . . 0.0 109.238 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.98 127.91 33.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.784 HG22 HG13 ' A' ' 7' ' ' VAL . 78.7 t -128.07 139.13 52.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.06 159.85 41.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.884 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 101.15 174.14 28.86 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 156.7 -160.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.73 0.23 3.32 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.537 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 3.5 tp 48.93 63.43 2.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.412 0.713 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.518 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 11.2 mm-40 -92.85 -102.25 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 110.353 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -178.53 84.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.541 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 61.46 13.5 37.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.69 159.06 33.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 0.728 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.601 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -69.08 149.11 49.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.592 1.182 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 1.13 ' CG ' HD21 ' A' ' 97' ' ' LEU . 3.7 m-30 -149.32 81.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.548 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -53.81 128.47 29.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.528 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 46.7 t -67.21 146.04 13.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.078 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -123.35 -173.36 14.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.612 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 170.04 116.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 15.0 m -128.03 175.4 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.667 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -151.81 125.94 9.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.822 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -75.47 150.58 38.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 107.975 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.771 HG21 ' CD1' ' A' ' 83' ' ' TRP . 80.5 t -135.61 -106.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.669 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -58.7 163.87 3.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.1 m -62.43 89.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.15 -15.8 25.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.159 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.645 ' CG1' HD22 ' A' ' 77' ' ' LEU . 21.2 t -88.37 125.73 41.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.751 HD12 ' HB2' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -129.41 114.86 16.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.522 ' HB1' ' C ' ' A' ' 75' ' ' GLY . . . -94.39 113.34 25.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -81.87 167.98 18.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.155 . . . . 0.0 108.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 28.0 t-20 -113.79 87.78 12.93 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.03 40.92 0.69 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -138.32 4.86 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.469 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 1.3 p30 -42.04 -57.28 2.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.413 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 67.5 -51.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 111.021 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.516 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.9 m -38.42 149.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.055 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.6 p -146.56 142.44 28.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.94 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 56' ' ' THR . 1.6 p -132.54 166.1 30.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.488 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.1 m -124.07 147.64 47.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -72.0 175.02 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.655 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.0 p30 -133.37 119.94 20.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.533 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.7 -88.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.655 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.3 m120 -36.27 -46.65 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.537 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.43 -1.15 6.5 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.576 1.173 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 4.8 m -79.57 141.66 36.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.045 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.884 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.58 156.08 29.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.1 p -157.46 106.08 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.42 HG21 ' HB ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.98 170.52 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.178 . . . . 0.0 110.414 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.648 ' HB3' HG12 ' A' ' 18' ' ' VAL . 15.8 m -86.29 125.54 33.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.966 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.772 ' HB2' HG21 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -114.91 140.13 49.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.943 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -78.32 118.25 20.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.178 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.9 t -89.02 60.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.943 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.4 OUTLIER -48.11 136.39 11.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.228 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.524 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 1.3 ttp180 -106.88 -78.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 t -77.67 91.32 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.553 ' O ' HG12 ' A' ' 86' ' ' VAL . 7.2 p90 -138.62 165.57 26.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.464 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.9 OUTLIER -81.56 118.3 22.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.236 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.522 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -97.36 143.17 16.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 33.9 m-85 -116.7 124.53 49.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 0.736 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.645 HD22 ' CG1' ' A' ' 44' ' ' VAL . 9.8 mt -39.85 -72.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.601 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.416 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 1.4 ppt_? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.771 ' CD1' HG21 ' A' ' 40' ' ' VAL . 71.1 m95 -73.91 -48.1 33.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 108.055 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.631 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 79.25 158.4 13.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 111.063 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 15.49 72.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 110.391 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 73' ' ' PHE . 9.0 p -120.39 143.6 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.21 116.24 22.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.678 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -65.4 -39.12 91.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.29 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.413 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 8.7 t -58.57 -22.26 55.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.6 m -83.08 -22.42 33.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.396 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.822 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -126.23 24.18 6.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 30.82 60.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.667 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 1.7 p -51.66 -177.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.694 HE22 HD11 ' A' ' 45' ' ' LEU . 12.6 pm0 -137.38 154.77 49.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.856 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.2 p -136.87 116.43 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.171 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -135.63 -158.66 8.3 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.547 1.154 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.13 HD21 ' CG ' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -93.82 165.2 12.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.221 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.548 ' O ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -154.05 116.29 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.047 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.431 ' HB2' ' OD1' ' A' ' 99' ' ' ASP . 1.6 t30 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -34.67 144.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.03 -178.38 4.14 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.441 1.758 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 1.7 mm-40 160.08 49.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.452 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -76.06 167.32 54.63 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.856 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.6 p -101.77 119.98 50.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.75 107.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.815 HG21 HD11 ' A' ' 13' ' ' LEU . 66.2 mt -121.49 150.78 24.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.506 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -87.13 116.67 25.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.973 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.178 ' CE2' HG12 ' A' ' 69' ' ' VAL . 1.4 m-85 -96.6 126.32 41.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.4 t30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . -105.71 152.37 23.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.947 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.2 p -149.49 159.86 43.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.395 1.059 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.744 ' HA ' HG22 ' A' ' 21' ' ' VAL . 2.1 t -83.57 115.43 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.607 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -37.19 -61.92 0.64 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.444 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.743 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.03 -91.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.561 1.821 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.806 ' HA ' HG23 ' A' ' 110' ' ' ILE . 9.5 p 72.43 40.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.959 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.6 ' O ' HD23 ' A' ' 13' ' ' LEU . 65.7 p -153.61 133.66 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.078 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.33 44.08 4.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.947 HD12 HG11 ' A' ' 69' ' ' VAL . 13.8 mt -79.99 -152.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.51 0.77 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.436 ' CB ' ' OG1' ' A' ' 17' ' ' THR . 0.1 OUTLIER -148.59 172.22 14.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.566 ' HA ' ' HB2' ' A' ' 71' ' ' ARG . 64.6 t0 -67.43 108.47 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.19 29.25 41.72 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.897 HG22 HG13 ' A' ' 19' ' ' VAL . 53.7 m -72.03 84.4 0.99 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.437 0.728 . . . . 0.0 110.414 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.6 t -65.52 78.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.897 HG13 HG22 ' A' ' 17' ' ' THR . 21.7 m -85.23 -172.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -88.91 144.27 26.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.947 HG13 ' O ' ' A' ' 6' ' ' THR . 61.5 t -140.63 144.7 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -143.77 158.08 43.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.373 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.912 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 107.29 174.28 22.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.824 ' HB1' HD13 ' A' ' 97' ' ' LEU . . . 152.49 -161.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.22 -3.75 4.09 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 50.05 57.12 6.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 0.0 109.36 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.475 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 36.1 mm-40 -89.66 -100.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -179.13 89.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.589 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 64.36 13.74 55.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.425 1.078 . . . . 0.0 111.085 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 m -73.81 158.98 33.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 110.368 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.466 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -79.35 145.44 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.806 ' HB3' HD12 ' A' ' 97' ' ' LEU . 8.4 m-85 -145.67 76.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.03 134.69 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.508 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 3.6 t -76.27 154.75 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -127.42 -167.67 12.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.919 ' HB2' HG22 ' A' ' 95' ' ' VAL . 0.4 OUTLIER 164.02 107.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.781 . . . . 0.0 110.255 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 39.7 m -124.38 179.67 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 108.358 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.874 ' HB2' ' SG ' ' A' ' 88' ' ' CYS . . . -125.06 129.02 49.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.682 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -91.82 110.1 21.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 108.054 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.582 HG21 ' HE1' ' A' ' 83' ' ' TRP . 41.0 t -93.49 -116.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.558 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -90.57 37.18 0.9 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.433 1.083 . . . . 0.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 69.06 -59.31 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.474 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.449 ' N ' HG22 ' A' ' 42' ' ' THR . . . -65.25 -12.47 55.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.487 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 17.4 t -126.87 128.13 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 39' ' ' TRP . 1.0 OUTLIER -135.18 112.91 10.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.027 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -86.55 90.32 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.566 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -69.72 157.79 36.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 108.225 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 30.3 t-20 -115.34 84.26 11.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.95 44.79 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -142.23 6.33 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -51.99 -61.29 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.449 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 72.73 -45.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.508 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.8 m -36.27 155.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 t -151.16 139.94 20.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.779 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 7.7 p -121.96 148.45 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -110.22 145.67 36.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.414 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.589 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -71.18 169.03 15.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.657 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.0 p30 -131.71 120.19 22.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.51 -88.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.657 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.7 m-20 -38.2 -45.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.519 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.47 -1.09 6.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -77.6 136.85 38.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 109.958 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.912 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -75.01 159.17 32.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' A' ' 65' ' ' THR . 90.6 p -162.17 117.62 1.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.567 HG23 ' N ' ' A' ' 66' ' ' SER . 12.5 t -176.99 -151.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.621 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.4 m -125.19 136.41 53.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.963 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.866 ' HB2' HG21 ' A' ' 21' ' ' VAL . 7.3 mp -120.71 135.92 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.798 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -76.15 99.83 4.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.376 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.947 HG11 HD12 ' A' ' 13' ' ' LEU . 60.5 t -69.58 62.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.798 ' NE ' HG23 ' A' ' 68' ' ' THR . 6.8 mtm180 -46.64 131.07 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HB2' ' HA ' ' A' ' 15' ' ' ASP . 12.9 mtp180 -79.89 -53.88 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 84.2 p -134.74 159.43 41.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.479 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 6.1 p90 178.1 -171.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.27 96.9 6.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -95.85 -166.9 34.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 9.0 m-85 -130.98 132.21 44.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.629 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 3.2 mp -49.67 -46.84 50.27 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.629 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 3.4 t80 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 1.027 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -75.53 -79.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.041 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 142.43 161.73 8.91 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 85' ' ' THR . 1.7 m -63.34 72.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.761 . . . . 0.0 110.45 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.528 HG22 ' H ' ' A' ' 87' ' ' ASP . 8.8 p -112.4 171.15 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.528 ' H ' HG22 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -70.96 136.04 48.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.874 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -98.5 -36.75 9.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -51.4 -35.49 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 110.42 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.19 -22.5 62.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -109.68 20.92 17.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 93' ' ' CYS . . . 39.12 70.19 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.97 -176.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.264 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.567 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.7 pm0 -160.2 146.97 15.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.919 HG22 ' HB2' ' A' ' 36' ' ' GLN . 40.7 t -130.92 109.59 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -120.8 -165.07 12.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.824 HD13 ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -97.62 155.87 16.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.483 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 29.4 t -157.41 114.41 3.01 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -144.0 -81.37 0.05 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.07 32.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.73 -52.15 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 111.94 25.6 4.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 93.8 t -72.5 76.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.449 0.735 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.53 109.49 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.806 HG23 ' HA ' ' A' ' 10' ' ' SER . 4.9 mt -109.18 145.28 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.501 ' HB2' ' HA ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -89.17 90.57 8.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.703 ' CD2' HG12 ' A' ' 69' ' ' VAL . 45.0 m-85 -83.96 132.17 34.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.478 ' CG2' ' HG2' ' A' ' 105' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.538 ' O ' ' CA ' ' A' ' 107' ' ' GLY . . . -104.4 159.53 15.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.681 ' HA ' HG12 ' A' ' 108' ' ' VAL . 15.6 p -152.41 158.67 42.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.678 ' CG2' HG23 ' A' ' 19' ' ' VAL . 1.1 p -116.15 135.48 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.568 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.91 -59.74 0.6 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.953 ' CG ' HG21 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.97 -165.76 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.814 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.7 t 146.94 39.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.49 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 71.9 p -173.55 125.66 0.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.96 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 61.46 31.46 77.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.913 HD13 HG21 ' A' ' 17' ' ' THR . 4.7 mt -78.7 -141.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.74 163.85 21.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.462 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 7.8 p-10 -66.8 99.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.613 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 104.45 22.18 8.78 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.913 HG21 HD13 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -64.4 80.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 110.435 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 16' ' ' GLY . 21.0 t -69.88 114.52 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.953 HG21 ' CG ' ' A' ' 9' ' ' PRO . 2.7 m -139.52 -172.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 65' ' ' THR . 3.1 tttt -78.44 135.01 37.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.623 HG11 ' HG ' ' A' ' 67' ' ' LEU . 10.0 p -130.26 140.65 48.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.5 154.82 46.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.756 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 92.07 179.54 41.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 155.11 -149.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.447 ' C ' ' OH ' ' A' ' 32' ' ' TYR . . . -64.8 -0.78 5.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.125 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.4 tp 50.86 50.18 19.58 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.4 0.706 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.4 tp60 -69.53 -103.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 59' ' ' ALA . . . 176.96 78.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.3 55.99 14.28 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.41 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -136.61 160.31 39.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 110.371 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.97 149.85 4.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.499 ' HB3' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -151.07 82.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.72 117.68 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.036 HG21 HD21 ' A' ' 67' ' ' LEU . 31.2 t -65.88 151.02 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.203 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -143.27 138.48 8.25 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.869 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -125.82 120.96 31.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.254 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 10.2 m -138.4 173.83 11.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 108.326 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.838 ' HB2' ' CB ' ' A' ' 93' ' ' CYS . . . -140.43 107.62 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.576 ' HB3' HD12 ' A' ' 45' ' ' LEU . 12.0 p-90 -86.77 122.53 30.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 108.025 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.76 HG22 ' HB1' ' A' ' 91' ' ' ALA . 59.7 t -111.29 -27.56 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 43' ' ' GLY . 5.0 t0 179.37 61.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.523 HG22 ' N ' ' A' ' 43' ' ' GLY . 1.4 m 56.43 -85.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.465 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.523 ' N ' HG22 ' A' ' 42' ' ' THR . . . -64.09 -12.35 49.18 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.504 1.127 . . . . 0.0 111.061 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.84 ' HA ' HD23 ' A' ' 77' ' ' LEU . 11.5 t -105.71 43.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.373 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.576 HD12 ' HB3' ' A' ' 39' ' ' TRP . 4.5 tt -102.3 111.22 23.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.225 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 1.022 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -92.81 101.82 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -84.09 147.89 27.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.573 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 58.9 t30 -113.14 87.43 10.75 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.518 ' HG3' ' CE1' ' A' ' 76' ' ' PHE . 18.6 Cg_endo -74.89 32.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.46 1.768 . . . . 0.0 111.059 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.622 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -127.63 1.53 6.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -50.61 -51.01 52.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 13.6 m-85 69.34 -47.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 52' ' ' PHE . 3.9 m -26.96 142.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.369 1.043 . . . . 0.0 109.988 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.53 ' CA ' HG23 ' A' ' 34' ' ' VAL . 77.9 p -141.92 136.74 30.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.965 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.921 HG22 HG21 ' A' ' 65' ' ' THR . 3.7 t -141.19 165.53 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.392 1.058 . . . . 0.0 109.254 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.525 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 1.6 m -120.15 155.5 32.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.714 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -82.65 179.1 7.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.697 ' O ' ' N ' ' A' ' 60' ' ' ASN . 10.6 p30 -132.8 123.41 26.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.56 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 27.53 -86.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.697 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.3 m-20 -36.79 -47.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.714 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 127.09 1.59 6.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 20.7 m -88.84 142.89 27.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 0.715 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -70.68 173.68 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.55 ' O ' ' HB ' ' A' ' 65' ' ' THR . 45.2 p -179.77 106.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.921 HG21 HG22 ' A' ' 55' ' ' VAL . 7.1 t 177.91 -136.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.534 ' N ' HG23 ' A' ' 65' ' ' THR . 16.5 m -129.28 130.76 46.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.036 HD21 HG21 ' A' ' 34' ' ' VAL . 6.0 mt -125.13 151.46 45.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.773 HG23 ' NE ' ' A' ' 70' ' ' ARG . 8.7 t -88.06 102.52 14.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.976 HG11 HG21 ' A' ' 110' ' ' ILE . 21.2 t -69.41 64.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.773 ' NE ' HG23 ' A' ' 68' ' ' THR . 1.6 mtm180 -55.67 143.91 28.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.236 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.544 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 3.4 ttp180 -117.27 -74.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 t -67.29 113.08 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.63 ' CE1' ' SG ' ' A' ' 88' ' ' CYS . 2.5 p90 -157.54 175.78 13.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.443 ' HB3' ' N ' ' A' ' 85' ' ' THR . 0.3 OUTLIER -129.91 93.65 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -94.26 178.49 37.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 47' ' ' CYS . 49.6 p90 -110.74 131.65 54.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.84 HD23 ' HA ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -55.33 -48.53 74.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.608 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.1 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.46 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 1.022 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 6.6 m95 -51.36 -86.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.672 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 106.8 153.01 19.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.76 HG22 ' O ' ' A' ' 85' ' ' THR . 1.0 OUTLIER 9.56 72.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 0.725 . . . . 0.0 110.389 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 73' ' ' PHE . 4.8 p -121.11 131.5 72.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -81.75 113.56 19.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.63 ' SG ' ' CE1' ' A' ' 73' ' ' PHE . 1.5 m -45.13 -46.21 11.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.284 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 t -52.2 -33.44 40.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 87' ' ' ASP . 97.1 m -68.5 -25.52 65.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.76 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -128.45 24.37 5.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.077 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 27.28 56.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.838 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . 1.5 p -51.41 180.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 108.322 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.468 ' N ' ' OE1' ' A' ' 94' ' ' GLN . 5.3 pm0 -137.47 158.49 44.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.869 HG23 ' CG ' ' A' ' 36' ' ' GLN . 14.9 p -133.29 111.06 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.499 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -132.71 -160.58 9.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.414 1.071 . . . . 0.0 111.009 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.701 HD11 HG22 ' A' ' 34' ' ' VAL . 1.7 mp -114.53 158.69 21.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.766 . . . . 0.0 109.281 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.28 141.16 23.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.57 166.85 0.03 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.478 ' HG2' ' CG2' ' A' ' 4' ' ' THR . 18.4 Cg_endo -74.95 -161.1 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -69.72 -124.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.538 ' CA ' ' O ' ' A' ' 5' ' ' ALA . . . -128.84 -83.63 0.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.681 HG12 ' HA ' ' A' ' 6' ' ' THR . 7.5 p -153.57 150.37 12.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.488 0.758 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.04 110.89 15.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.976 HG21 HG11 ' A' ' 69' ' ' VAL . 3.2 mt -97.23 138.38 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.49 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -93.0 87.31 5.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.894 ' CE2' HG12 ' A' ' 69' ' ' VAL . 14.4 m-85 -68.78 120.9 15.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.425 ' H ' ' N ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.501 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -99.9 166.13 11.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.963 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.5 p -153.01 155.73 37.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.388 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.054 HG12 ' HD2' ' A' ' 9' ' ' PRO . 6.7 t -126.91 141.13 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.586 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.13 -60.82 0.53 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.399 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.054 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.09 -163.88 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.564 ' C ' HG23 ' A' ' 110' ' ' ILE . 12.8 p -148.12 -26.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.037 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.645 ' HA ' ' O ' ' A' ' 111' ' ' SER . 81.2 p -169.79 167.76 9.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 75.77 23.46 72.4 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.517 1.135 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.018 HD12 HG11 ' A' ' 69' ' ' VAL . 4.9 mt -71.56 -143.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.317 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.452 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.7 t -161.4 161.14 30.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.501 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 37.0 t0 -57.56 90.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.369 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 97.29 40.23 3.77 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.445 1.091 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.605 ' O ' HG22 ' A' ' 17' ' ' THR . 1.1 m -71.14 82.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.363 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 6.0 t -71.51 94.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.451 HG21 ' CG ' ' A' ' 9' ' ' PRO . 21.9 m -127.63 169.9 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -56.09 141.77 39.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.984 HG22 HG13 ' A' ' 7' ' ' VAL . 67.8 t -144.44 140.24 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.78 155.8 47.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.773 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 106.33 172.05 23.12 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 156.58 -156.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.336 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.49 -3.13 6.67 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.508 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 4.0 tp 51.91 68.32 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.756 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.742 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -94.55 -85.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.24 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 158.14 99.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 44.63 38.04 5.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.675 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 7.1 m -109.27 155.3 21.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 110.458 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.8 147.78 48.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.743 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 6.3 m-85 -146.4 78.21 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' SER . 2.4 t70 -55.65 119.96 6.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.649 HG21 ' HB3' ' A' ' 53' ' ' SER . 46.2 t -55.56 157.48 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.487 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -122.65 -72.69 0.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 111.057 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.1 tp60 69.91 106.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 0.783 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.592 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 49.0 m -127.53 179.09 5.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 108.328 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.745 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . -124.75 77.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -65.94 103.89 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.052 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.077 HG22 ' HB1' ' A' ' 91' ' ' ALA . 4.0 t -109.0 -129.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.474 ' H ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -55.1 -174.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.5 m -72.52 90.94 1.36 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.5 -7.58 36.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.568 1.167 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.968 HG13 ' CZ2' ' A' ' 83' ' ' TRP . 24.6 t -89.55 54.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.786 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.692 ' O ' HD23 ' A' ' 45' ' ' LEU . 3.6 tt -98.76 100.67 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.745 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . . . -85.11 92.25 8.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.592 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -67.82 160.64 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 108.323 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 63.6 t30 -114.16 83.12 7.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.473 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.1 30.45 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.658 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . . . -135.72 8.24 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.527 ' C ' ' H ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -55.68 -56.39 20.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.658 ' CE1' ' HA ' ' A' ' 50' ' ' ALA . 11.2 m-85 70.18 -40.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.649 ' HB3' HG21 ' A' ' 34' ' ' VAL . 1.5 m -38.62 152.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.051 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.7 p -148.98 141.27 24.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 110.054 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.685 HG23 ' HB ' ' A' ' 65' ' ' THR . 10.6 p -132.26 172.86 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.576 ' H ' HG22 ' A' ' 55' ' ' VAL . 2.0 m -122.31 150.08 42.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.427 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.743 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -81.86 164.26 21.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.637 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.8 p30 -123.71 121.13 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.75 -89.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.637 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.5 m-20 -36.57 -44.99 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.557 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 123.18 8.71 6.41 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -88.01 132.54 34.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.978 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.773 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -57.69 165.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 65' ' ' THR . 4.7 p -169.12 99.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.17 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.685 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 179.33 171.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 110.336 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 60.2 p -81.66 112.68 19.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.097 . . . . 0.0 110.049 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.735 HD11 HD11 ' A' ' 97' ' ' LEU . 6.2 mt -107.06 148.91 28.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.824 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -84.74 106.96 16.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.018 HG11 HD12 ' A' ' 13' ' ' LEU . 5.2 t -81.29 64.57 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.824 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.1 OUTLIER -51.84 144.62 11.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.589 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 5.7 ttp180 -118.81 -76.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -77.12 97.13 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.452 ' O ' HG12 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -150.89 -177.06 5.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 111.014 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.477 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 3.1 pm0 -110.48 117.63 34.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.687 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -107.73 162.83 13.11 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 13.3 m-85 -115.55 133.09 56.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 0.802 . . . . 0.0 111.076 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.611 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 13.4 mt -42.45 -60.43 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.507 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.968 ' CZ2' HG13 ' A' ' 44' ' ' VAL . 90.4 m95 -88.77 -60.21 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 108.047 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.642 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 95.97 154.34 30.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.782 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 13.43 75.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 110.377 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 73' ' ' PHE . 8.7 p -123.07 143.38 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.423 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -82.23 116.16 21.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.644 ' HB3' ' CE1' ' A' ' 112' ' ' PHE . 2.5 m -63.83 -43.97 94.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.0 t -51.72 -20.87 2.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.188 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 17.9 m -87.59 -16.51 34.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.454 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.077 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -128.21 16.34 6.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 35.35 66.11 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 55.5 m -53.21 176.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 108.266 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.446 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 16.9 pm0 -141.49 154.9 45.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.64 ' O ' HG13 ' A' ' 95' ' ' VAL . 8.1 p -120.99 101.16 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.19 165.37 12.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.735 HD11 HD11 ' A' ' 67' ' ' LEU . 1.7 mm? -104.78 142.64 34.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 0.773 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -119.72 143.25 47.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.99 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.96 147.84 50.29 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -160.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 59.93 -173.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.214 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 5' ' ' ALA . . . 176.61 -53.37 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' A' ' 6' ' ' THR . 1.5 p -179.96 120.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.787 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.16 112.72 23.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.951 HG21 HD11 ' A' ' 13' ' ' LEU . 5.0 mt -114.14 153.47 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.645 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -98.47 123.27 42.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.963 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.955 ' CE2' HG12 ' A' ' 69' ' ' VAL . 5.9 m-85 -90.64 126.84 36.09 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.493 ' H ' ' N ' ' A' ' 13' ' ' LEU . 1.2 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.635 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HB2' ' HB3' ' A' ' 97' ' ' LEU . . . -103.06 161.73 13.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.826 ' O ' HG13 ' A' ' 21' ' ' VAL . 19.2 p -150.4 158.56 44.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.961 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -95.05 131.5 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.512 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.39 -57.11 1.18 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.961 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.07 -160.3 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.723 ' HA ' HD13 ' A' ' 110' ' ' ILE . 89.4 p -155.3 26.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.986 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.613 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -165.58 56.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.965 ' CA ' HG21 ' A' ' 17' ' ' THR . . . -43.19 -25.08 0.37 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.547 1.154 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 11' ' ' SER . 1.1 mt 41.45 -88.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.617 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -33.86 118.6 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.144 . . . . 0.0 110.043 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.507 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 5.6 p-10 -60.56 110.04 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 109.367 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.2 30.07 15.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.965 HG21 ' CA ' ' A' ' 12' ' ' GLY . 6.2 t -70.38 94.74 0.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 110.429 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.527 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.7 t -77.29 94.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.622 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 16.7 m -111.32 179.28 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -69.49 140.4 53.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.343 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.83 HG11 HD22 ' A' ' 67' ' ' LEU . 75.6 t -142.31 140.49 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.27 155.69 45.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.936 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 107.83 176.12 22.3 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.94 -161.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.94 -2.26 4.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.518 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.1 tp 49.61 62.14 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.511 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 4.5 tp60 -92.57 -102.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.427 ' N ' ' CG ' ' A' ' 27' ' ' GLN . . . -176.0 95.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.413 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 50.54 19.79 3.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.482 ' CB ' ' HG2' ' A' ' 27' ' ' GLN . 1.0 OUTLIER -81.34 158.48 24.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 110.393 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.69 148.43 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.76 ' CD1' HD23 ' A' ' 97' ' ' LEU . 2.1 m-85 -143.83 80.23 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.088 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 98' ' ' SER . 0.4 OUTLIER -51.15 115.64 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.578 HG22 HD21 ' A' ' 67' ' ' LEU . 45.7 t -58.7 146.55 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -128.56 -166.45 11.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.579 1.174 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 170.04 113.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 4.7 m -128.26 170.79 12.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 108.289 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.691 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . . . -139.73 125.89 19.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.43 125.43 40.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 108.018 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.477 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 39.9 t -109.44 -28.28 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.427 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER 179.33 175.16 0.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.1 m -56.68 89.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.54 -11.8 39.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 2.3 t -95.1 42.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.885 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -99.18 104.77 16.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.398 1.061 . . . . 0.0 109.363 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.719 ' CB ' ' CD1' ' A' ' 83' ' ' TRP . . . -94.77 116.17 28.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.444 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 0.5 OUTLIER -84.83 163.11 19.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 108.276 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.659 ' ND2' ' CD1' ' A' ' 73' ' ' PHE . 8.7 t-20 -113.73 88.26 13.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.595 1.184 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.1 Cg_endo -74.97 38.17 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -134.1 3.76 3.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.6 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -43.33 -52.08 6.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 16.8 m-85 62.8 -57.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.6 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.3 m -30.63 146.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.951 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.0 p -141.98 136.81 30.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.509 HG22 ' N ' ' A' ' 56' ' ' THR . 2.6 p -126.09 165.92 23.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.509 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.1 m -123.38 151.2 42.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.457 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -80.91 170.2 16.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.9 p30 -129.84 120.09 24.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.33 -89.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.621 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.8 m-20 -36.24 -46.02 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.518 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 127.11 2.08 6.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.96 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.469 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 34.1 t -79.74 136.82 36.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.756 . . . . 0.0 110.034 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.936 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -76.26 154.23 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' A' ' 65' ' ' THR . 39.2 m -155.89 107.38 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.485 ' CG2' ' CD1' ' A' ' 67' ' ' LEU . 1.6 t -178.18 178.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.4 m -93.14 122.8 35.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.83 HD22 HG11 ' A' ' 21' ' ' VAL . 6.8 mp -114.57 147.05 40.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.363 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.91 HG23 ' NE ' ' A' ' 70' ' ' ARG . 4.5 t -89.19 116.46 27.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.145 HG12 ' CE2' ' A' ' 112' ' ' PHE . 1.5 t -87.15 60.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.91 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.3 OUTLIER -38.72 133.34 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.243 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.507 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 1.6 ttp180 -89.14 -58.87 2.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 85.0 p -120.81 141.64 50.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.055 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.659 ' CD1' ' ND2' ' A' ' 48' ' ' ASN . 12.4 p90 -175.75 -173.81 0.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.458 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -109.49 142.22 40.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 83' ' ' TRP . . . -147.74 -160.83 9.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.64 ' CZ ' ' CB ' ' A' ' 82' ' ' ARG . 1.4 m-85 -145.75 141.21 27.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 12.4 mt -63.94 -51.47 64.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.0 t80 . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.64 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.719 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -94.13 -155.56 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 107.98 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -168.57 170.95 42.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.469 ' HA ' ' C ' ' A' ' 73' ' ' PHE . 22.8 m -62.79 75.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.377 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 84' ' ' GLY . 6.0 p -110.02 166.76 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.232 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.95 118.99 20.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -77.31 -33.2 55.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 108.283 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.752 HG21 ' C ' ' A' ' 113' ' ' ASN . 1.2 t -50.37 -29.94 11.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -25.32 64.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -119.27 14.97 13.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 36.84 72.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.691 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 19.1 p -55.77 -169.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 108.284 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.486 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 0.7 OUTLIER -148.38 154.83 40.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.906 ' O ' HG12 ' A' ' 108' ' ' VAL . 8.5 p -131.76 128.9 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -148.5 -177.62 22.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.57 1.169 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.815 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -79.84 146.76 32.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 0.721 . . . . 0.0 109.318 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.815 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -137.7 122.12 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.589 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.589 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 96.88 170.59 33.98 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.34 4.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -166.99 34.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.25 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.404 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -80.96 176.91 54.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.906 HG12 ' O ' ' A' ' 95' ' ' VAL . 7.3 p -105.39 121.79 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.6 113.0 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 1.047 HG21 HG11 ' A' ' 69' ' ' VAL . 0.8 OUTLIER -116.89 149.0 19.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.453 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 6.3 m -89.1 92.8 9.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.145 ' CE2' HG12 ' A' ' 69' ' ' VAL . 37.7 m-85 -87.09 165.66 15.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.752 ' C ' HG21 ' A' ' 89' ' ' THR . 12.0 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.472 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -101.31 161.98 13.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.472 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 1.7 p -151.94 161.03 43.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.903 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.5 t -117.7 139.9 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.368 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.513 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -37.2 -57.27 1.38 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.452 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.903 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.97 -165.49 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.44 18.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.509 ' CA ' ' O ' ' A' ' 111' ' ' SER . 59.9 p -152.5 114.11 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.036 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.657 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -78.19 6.31 50.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.657 ' C ' ' O ' ' A' ' 12' ' ' GLY . 12.5 mt -15.75 -58.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.6 OUTLIER -72.61 101.35 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.417 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 11.9 p-10 -49.55 101.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.611 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 100.49 34.38 4.76 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.474 ' O ' HG22 ' A' ' 17' ' ' THR . 1.2 m -65.2 86.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 16' ' ' GLY . 8.5 t -77.59 96.78 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.813 HG21 ' CG ' ' A' ' 9' ' ' PRO . 33.4 m -125.41 -176.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 65' ' ' THR . 73.1 mttt -72.03 148.89 45.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.358 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.883 HG21 ' HB2' ' A' ' 67' ' ' LEU . 3.4 t -139.1 138.71 41.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -135.23 149.61 49.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.801 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 103.81 -176.57 24.0 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 149.32 -157.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 0.747 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.35 -1.45 4.37 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.553 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.5 OUTLIER 44.46 66.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.588 0.816 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.543 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.1 tp60 -87.71 -105.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 172.57 77.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.52 52.01 6.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.42 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -123.56 164.21 19.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 110.401 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.42 ' N ' ' CG2' ' A' ' 30' ' ' THR . . . -78.48 149.3 33.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.925 ' O ' HD12 ' A' ' 97' ' ' LEU . 2.9 m-85 -140.08 75.66 1.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.479 ' HA ' ' CB ' ' A' ' 54' ' ' SER . 0.3 OUTLIER -62.7 115.3 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.234 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.782 HG21 ' CB ' ' A' ' 53' ' ' SER . 73.5 t -39.47 150.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.597 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -130.51 -86.19 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.607 ' CD ' HG22 ' A' ' 95' ' ' VAL . 0.5 OUTLIER 75.28 116.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.571 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 48.3 m -128.01 177.49 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.48 ' HB2' ' HZ ' ' A' ' 73' ' ' PHE . . . -122.37 137.83 54.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.224 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.865 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -102.2 110.8 22.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.604 HG12 ' N ' ' A' ' 41' ' ' ASP . 58.0 t -90.23 -114.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.604 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.2 t0 -92.37 36.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 69.72 -58.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.397 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.45 ' N ' HG22 ' A' ' 42' ' ' THR . . . -66.53 -9.8 51.86 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.071 HG13 HD11 ' A' ' 77' ' ' LEU . 22.1 t -127.62 123.91 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tt -126.59 121.46 32.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HB1' ' HA3' ' A' ' 75' ' ' GLY . . . -104.14 92.74 4.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.571 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -66.26 165.18 14.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 108.31 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.613 ' ND2' ' CG ' ' A' ' 73' ' ' PHE . 11.0 t-20 -114.64 85.86 11.93 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.97 39.57 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -134.82 2.85 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.435 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -41.96 -55.15 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 68.07 -49.61 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.782 ' CB ' HG21 ' A' ' 34' ' ' VAL . 30.3 m -50.88 158.59 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.986 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 96.7 p -166.33 138.87 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.877 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.5 p -137.88 -155.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.71 ' N ' HG13 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -143.21 168.93 18.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.496 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.495 ' N ' ' CG2' ' A' ' 56' ' ' THR . . . -72.35 -170.43 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.688 ' O ' ' N ' ' A' ' 60' ' ' ASN . 57.1 p30 -145.85 134.58 22.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.685 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -12.3 80.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.688 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.4 t30 151.29 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.553 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 122.22 -11.47 9.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.126 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -76.48 139.2 40.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.041 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -84.1 158.23 21.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.532 ' O ' ' HB ' ' A' ' 65' ' ' THR . 4.6 m -159.21 126.71 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.877 ' HB ' HG21 ' A' ' 55' ' ' VAL . 1.0 OUTLIER 171.35 -115.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.447 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.583 ' N ' ' OG1' ' A' ' 65' ' ' THR . 74.2 m -161.81 137.85 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 110.0 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.883 ' HB2' HG21 ' A' ' 21' ' ' VAL . 7.0 mp -122.74 163.02 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.631 HG23 ' NE ' ' A' ' 70' ' ' ARG . 2.2 t -100.22 97.73 8.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.09 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.7 t -72.13 65.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.631 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -64.24 124.94 23.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.547 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 14.5 ttp180 -79.2 -73.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.185 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.5 t -90.36 118.48 29.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.04 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.613 ' CG ' ' ND2' ' A' ' 48' ' ' ASN . 22.1 p90 -156.01 -177.87 6.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.6 OUTLIER -89.66 104.19 16.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.7 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -84.12 149.93 25.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.501 ' CG ' ' HG3' ' A' ' 82' ' ' ARG . 20.1 m-85 -129.4 126.64 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.071 HD11 HG13 ' A' ' 44' ' ' VAL . 1.6 mm? -55.06 -44.95 75.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.581 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.6 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 111.051 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HG3' ' CG ' ' A' ' 76' ' ' PHE . 5.0 ttt180 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.643 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 8.9 m95 -68.17 -74.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.594 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 87.84 145.02 9.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.758 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 20.09 80.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 110.339 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -144.18 144.64 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' A' ' 90' ' ' THR . 2.3 m-20 -75.77 109.19 9.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -68.15 -30.22 69.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 108.271 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.473 HG21 ' HD2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -50.69 -22.72 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.429 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -75.44 -22.59 57.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.865 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -127.69 14.45 6.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 39.12 90.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.652 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 1.7 p -69.65 -173.95 0.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 108.353 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 19.2 pm0 -142.38 142.98 32.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.231 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 108' ' ' VAL . 83.8 t -107.46 133.93 50.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -159.46 168.03 35.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.583 1.177 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 32' ' ' TYR . 2.7 mm? -88.04 144.83 26.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 0.734 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -119.95 113.15 20.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.423 ' OD1' ' CB ' ' A' ' 103' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.423 ' CB ' ' OD1' ' A' ' 99' ' ' ASP . 1.3 m120 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.465 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 47.03 60.72 4.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.465 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.5 Cg_endo -74.87 -164.89 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.467 1.772 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.37 60.82 0.16 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 110.27 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -51.88 -100.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.665 HG11 HG23 ' A' ' 7' ' ' VAL . 12.9 p -159.71 123.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 0.736 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.44 109.77 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.913 HG21 HG11 ' A' ' 69' ' ' VAL . 11.1 mt -109.5 144.54 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.509 ' O ' ' CA ' ' A' ' 11' ' ' SER . 33.5 m -86.81 97.93 10.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.09 ' CE2' HG12 ' A' ' 69' ' ' VAL . 49.5 m-85 -89.02 19.73 4.01 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.576 1.172 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.217 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.716 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . -103.97 152.9 21.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.921 ' O ' HG13 ' A' ' 21' ' ' VAL . 2.5 p -153.08 162.61 41.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.04 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.6 t -110.99 133.79 55.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.609 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.76 -61.86 0.6 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.04 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.99 -90.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.435 1.756 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.62 ' HA ' HG23 ' A' ' 110' ' ' ILE . 1.4 p 89.64 13.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.6 p -161.76 136.26 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.0 36.2 60.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.849 HD12 HG21 ' A' ' 110' ' ' ILE . 12.9 mt -94.34 -147.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.488 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -158.87 167.51 29.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.998 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.435 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 29.1 t0 -62.57 96.54 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.471 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 97.16 33.23 6.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.723 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.6 m -76.48 88.26 3.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.655 HG12 ' HB2' ' A' ' 66' ' ' SER . 3.9 t -71.34 91.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.625 HG22 ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -111.08 166.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -61.57 133.42 55.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.921 HG13 ' O ' ' A' ' 6' ' ' THR . 84.4 t -137.52 141.74 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.87 156.34 45.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.823 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 108.85 178.41 21.59 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 111.048 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 149.39 -162.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.02 -7.2 2.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.603 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.6 OUTLIER 52.1 68.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.751 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.4 mp0 -88.35 -95.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.751 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 156.51 73.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.81 67.05 1.61 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.58 1.175 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.4 HG22 ' CE2' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -151.92 156.51 40.23 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.465 0.744 . . . . 0.0 110.324 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.92 154.79 38.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.748 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 9.9 m-85 -148.94 80.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -50.77 126.41 15.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.826 HG21 HD22 ' A' ' 67' ' ' LEU . 50.8 t -71.14 156.09 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -131.62 -168.31 12.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.3 111.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.294 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 6.8 m -118.07 179.33 4.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.353 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.688 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -135.05 160.93 36.77 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.489 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -99.29 125.19 44.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 107.998 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.853 HG11 ' CD2' ' A' ' 83' ' ' TRP . 2.4 t -113.46 -134.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.461 ' H ' HG12 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -52.33 -175.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.4 m -76.22 89.11 3.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.417 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.25 -6.06 28.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.814 HG11 ' CH2' ' A' ' 83' ' ' TRP . 43.4 t -91.01 127.94 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.937 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -123.47 137.29 54.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.654 ' HB2' ' NE1' ' A' ' 83' ' ' TRP . . . -120.05 100.09 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.504 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.3 m -79.05 153.18 30.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.595 1.184 . . . . 0.0 108.323 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 50' ' ' ALA . 63.7 t30 -110.74 93.8 17.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.15 36.17 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -131.29 2.33 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -43.09 -51.08 6.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.475 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 70.21 -54.1 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 111.07 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.488 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 5.5 m -32.89 148.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.7 p -151.86 141.99 22.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 110.001 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.66 ' CG1' HD11 ' A' ' 97' ' ' LEU . 2.1 p -136.72 168.76 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.551 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.2 m -122.4 148.63 44.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.415 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.748 ' HB2' ' HE2' ' A' ' 32' ' ' TYR . . . -60.89 175.06 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.696 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.6 p30 -134.67 135.6 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.696 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -8.42 80.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.646 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.5 t30 149.41 -39.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.669 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 121.7 -2.0 11.07 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.592 1.182 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.522 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -84.23 125.35 32.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 110.059 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -63.61 161.64 14.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 65' ' ' THR . 99.8 p -163.65 109.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.529 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 177.12 170.86 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.655 ' HB2' HG12 ' A' ' 18' ' ' VAL . 87.2 p -84.46 115.92 22.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.826 HD22 HG21 ' A' ' 34' ' ' VAL . 9.2 mt -104.86 137.58 42.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.381 1.05 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.865 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -76.73 107.66 9.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.018 HG11 HG21 ' A' ' 110' ' ' ILE . 10.0 t -77.59 61.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.865 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.5 OUTLIER -47.02 142.14 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.594 ' HB2' ' CG ' ' A' ' 112' ' ' PHE . 8.2 ttm180 -119.54 -79.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 20.7 p -71.64 118.15 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.656 ' CG ' ' N ' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -178.85 -165.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.656 ' N ' ' CG ' ' A' ' 73' ' ' PHE . 11.3 pt-20 -128.84 120.11 25.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.498 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -99.36 146.3 17.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.128 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.501 ' CE2' ' HD3' ' A' ' 82' ' ' ARG . 10.1 m-85 -111.13 136.37 50.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.76 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.937 HD23 ' O ' ' A' ' 45' ' ' LEU . 15.2 mt -47.49 -66.83 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.231 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.486 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 111.033 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HD3' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.853 ' CD2' HG11 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -154.08 -85.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 108.007 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 83' ' ' TRP . . . 26.47 -96.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.741 ' O ' HG23 ' A' ' 85' ' ' THR . 1.2 t 35.65 36.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -167.58 -175.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.558 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -74.13 117.41 15.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.611 ' O ' ' N ' ' A' ' 92' ' ' ALA . 1.8 m -57.95 -33.64 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 108.291 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.475 HG22 ' CB ' ' A' ' 87' ' ' ASP . 9.5 t -46.6 -22.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -79.75 -22.51 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -118.73 -6.67 10.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.611 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 58.58 64.83 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.688 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 6.0 m -49.48 176.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 108.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.68 HE21 ' N ' ' A' ' 94' ' ' GLN . 0.0 OUTLIER -140.04 147.41 40.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.255 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.668 ' O ' HG12 ' A' ' 108' ' ' VAL . 7.6 p -125.5 112.43 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -121.03 -179.21 16.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.366 1.041 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.716 HD23 ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -100.15 152.2 20.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -132.69 116.34 16.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.241 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 143.81 -173.99 24.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.96 3.68 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.55 1.816 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.24 36.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.82 174.88 48.14 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.568 1.168 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 95' ' ' VAL . 8.2 p -101.99 116.65 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 109.194 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.37 108.69 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 1.018 HG21 HG11 ' A' ' 69' ' ' VAL . 84.1 mt -109.32 148.41 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.7 m -106.96 106.21 16.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.906 ' CE2' HG12 ' A' ' 69' ' ' VAL . 1.6 m-85 -80.72 121.4 25.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' LEU . 35.8 t30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.424 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.478 ' HB1' HD22 ' A' ' 97' ' ' LEU . . . -73.61 143.65 46.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.94 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.8 p -149.48 151.95 34.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.966 HG13 HG22 ' A' ' 21' ' ' VAL . 3.2 t -123.41 147.3 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.515 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -41.77 -57.57 3.91 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.963 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.89 -151.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.78 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.4 ' H ' ' HB2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER 171.51 -11.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.047 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.552 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 95.4 p -179.18 153.91 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.75 42.86 99.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.018 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.852 HD21 HG23 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -105.07 -169.87 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 0.738 . . . . 0.0 109.283 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.95 160.04 20.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.585 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 6.0 p-10 -62.04 119.8 9.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.678 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 76.69 31.78 52.7 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.157 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.664 ' O ' HG23 ' A' ' 69' ' ' VAL . 1.2 m -57.3 85.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 16' ' ' GLY . 3.5 t -75.09 88.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.85 HG21 ' HD3' ' A' ' 9' ' ' PRO . 34.4 m -119.26 -179.84 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 145.56 50.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.966 HG22 HG13 ' A' ' 7' ' ' VAL . 54.3 t -142.4 140.51 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.52 161.19 38.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.864 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 95.01 -175.73 33.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 111.056 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.774 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 147.09 -157.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 0.801 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.07 -3.29 4.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.527 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 46.71 60.1 3.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.219 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.636 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 10.8 tt0 -79.95 -97.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.231 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 166.72 100.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.55 33.47 12.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.786 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 53.4 m -108.94 159.68 16.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 0.73 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.59 148.35 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 3.4 m-85 -146.21 76.82 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.07 129.66 38.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.598 HG11 ' HG ' ' A' ' 67' ' ' LEU . 33.6 t -67.21 149.57 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.642 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -135.84 177.48 19.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.619 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -172.56 107.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.37 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.534 ' O ' ' HB3' ' A' ' 93' ' ' CYS . 5.5 m -118.49 169.53 9.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.252 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.554 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -131.71 147.63 52.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.608 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -94.57 121.44 36.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.014 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.636 HG21 ' NE1' ' A' ' 83' ' ' TRP . 89.2 t -92.7 -111.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.633 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.9 t0 -90.36 41.4 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.542 ' HA ' ' CD1' ' A' ' 39' ' ' TRP . 0.9 OUTLIER 67.08 -64.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -69.39 -8.18 58.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.627 HG13 HD11 ' A' ' 77' ' ' LEU . 40.9 t -121.97 129.82 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.443 0.731 . . . . 0.0 109.347 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.44 132.8 47.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.553 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -113.21 102.22 10.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -80.05 158.0 26.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 108.316 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 31.7 t30 -112.3 91.45 16.41 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -75.0 38.38 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.562 1.822 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.96 3.19 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.522 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -41.13 -49.35 3.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.31 -58.23 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.583 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 1.9 m -34.49 150.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 t -149.33 144.66 26.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.608 HG23 ' HB ' ' A' ' 65' ' ' THR . 7.7 p -139.05 169.87 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.563 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.4 m -121.47 160.32 24.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.366 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.942 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -89.33 148.2 23.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.2 p30 -112.38 119.62 38.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 37.19 -92.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.0 m-20 -43.63 -43.31 5.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.942 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 125.42 6.38 6.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.506 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.5 m -73.28 128.31 35.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.948 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.864 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -72.1 156.92 38.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.437 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 78.2 p -155.01 107.21 2.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.079 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.608 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.79 172.68 1.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.373 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.55 ' O ' HD12 ' A' ' 67' ' ' LEU . 15.7 m -90.38 132.23 35.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.957 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.86 HD22 HG11 ' A' ' 21' ' ' VAL . 6.9 mp -119.68 143.34 47.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.647 ' HB ' HG22 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -92.03 97.7 11.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.415 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.169 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.3 t -67.69 67.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.56 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -54.79 119.1 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 110.33 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.585 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 1.2 ttt180 -80.69 -77.28 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.2 p -79.86 99.07 7.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -143.24 154.92 44.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.415 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.9 OUTLIER -79.73 121.38 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.15 151.08 17.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.47 ' CE2' ' C ' ' A' ' 78' ' ' PHE . 29.3 t80 -132.9 140.64 47.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.634 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -43.07 -62.65 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.636 ' NE1' HG21 ' A' ' 40' ' ' VAL . 39.6 m95 -100.27 -69.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.737 ' O ' HG23 ' A' ' 86' ' ' VAL . . . 92.72 165.0 38.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 18.07 78.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.735 . . . . 0.0 110.426 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 84' ' ' GLY . 54.0 t -114.92 127.01 72.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.424 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -79.97 106.66 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.359 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.731 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . 1.7 m -53.25 -23.16 8.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 108.228 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.531 HG23 ' CG ' ' A' ' 71' ' ' ARG . 16.3 p -77.72 5.86 8.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.1 m -119.69 -15.23 8.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -141.3 13.26 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 27.97 72.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 4.1 m -52.15 -177.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.297 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.472 ' CG ' ' HA3' ' A' ' 107' ' ' GLY . 14.6 pm0 -140.48 149.75 42.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.88 HG12 HD12 ' A' ' 110' ' ' ILE . 10.9 p -123.88 117.02 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -131.48 167.59 22.52 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.478 HD22 ' HB1' ' A' ' 5' ' ' ALA . 2.0 mm? -88.86 143.72 26.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 0.748 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.408 ' OG ' ' HB3' ' A' ' 103' ' ' ASN . 0.2 OUTLIER -122.07 130.42 53.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 99' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 138.83 -161.67 25.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.469 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.05 111.33 3.3 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.427 1.751 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.3 OUTLIER 169.45 42.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.472 ' HA3' ' CG ' ' A' ' 94' ' ' GLN . . . -76.01 174.1 53.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.552 HG12 HG13 ' A' ' 110' ' ' ILE . 87.4 t -93.43 103.28 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.94 101.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.88 HD12 HG12 ' A' ' 95' ' ' VAL . 54.8 mt -111.73 147.98 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.552 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -99.22 108.86 21.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.169 ' CE2' HG12 ' A' ' 69' ' ' VAL . 14.4 m-85 -90.75 132.7 35.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 112' ' ' PHE . 3.9 t30 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.416 ' O ' ' CG2' ' A' ' 108' ' ' VAL . . . -94.37 170.48 9.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.359 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.896 ' O ' HG13 ' A' ' 21' ' ' VAL . 68.3 p -148.25 152.88 37.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.774 HG21 HD11 ' A' ' 110' ' ' ILE . 22.5 t -100.99 124.48 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.773 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -31.35 -70.33 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.147 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.773 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.04 -90.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 3.9 p 92.43 20.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.414 ' O ' HD23 ' A' ' 13' ' ' LEU . 98.2 p -158.68 141.01 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.55 42.26 93.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.1 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.942 ' HB3' HG21 ' A' ' 17' ' ' THR . 6.6 mt -82.65 -146.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 0.74 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.28 166.64 16.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.569 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 18.5 p-10 -63.3 97.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.489 ' H ' ' HA ' ' A' ' 70' ' ' ARG . . . 97.33 35.78 5.12 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.942 HG21 ' HB3' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -71.84 89.04 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 0.775 . . . . 0.0 110.409 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.548 HG22 ' HB ' ' A' ' 68' ' ' THR . 10.8 t -79.87 87.11 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.467 ' CG2' HG13 ' A' ' 7' ' ' VAL . 19.6 m -107.3 -178.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -85.0 133.79 34.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 6' ' ' THR . 41.1 t -129.1 135.69 61.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.46 155.67 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.848 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 103.79 175.25 25.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.784 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 152.45 -158.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 0.806 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.705 ' N ' HD22 ' A' ' 97' ' ' LEU . . . -61.92 -3.12 4.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.572 1.17 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.539 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.2 tp 51.03 59.62 4.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.553 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 16.0 mm-40 -85.4 -98.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 175.1 96.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.215 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.53 21.21 6.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.42 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 18.8 m -84.58 163.79 19.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 0.753 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.56 146.22 29.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.96 ' CD1' HD13 ' A' ' 97' ' ' LEU . 4.4 m-85 -142.78 77.42 1.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -43.22 118.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.577 HG21 ' HG ' ' A' ' 67' ' ' LEU . 54.1 t -59.19 138.81 19.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -134.22 148.19 19.37 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.814 ' HG3' HG23 ' A' ' 95' ' ' VAL . 1.1 mt-30 -141.23 121.41 13.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.609 0.829 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 12.2 m -127.72 178.48 6.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 108.257 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 1.031 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -149.3 136.38 19.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.415 ' HD1' HD12 ' A' ' 45' ' ' LEU . 23.6 t90 -86.19 127.72 34.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 107.994 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.716 HG22 ' NE1' ' A' ' 83' ' ' TRP . 13.1 t -103.79 -123.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.485 ' HB3' HG23 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -56.21 -161.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.8 m -67.46 -51.13 55.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.46 37.12 3.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.438 1.086 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.618 HG13 HD11 ' A' ' 77' ' ' LEU . 11.6 t -130.71 119.28 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.415 HD12 ' HD1' ' A' ' 39' ' ' TRP . 1.8 tt -133.97 123.04 23.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.69 ' HB3' ' HD1' ' A' ' 83' ' ' TRP . . . -105.53 114.4 28.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 1.3 m -87.27 165.44 15.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 108.267 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 21.7 t-20 -115.8 84.37 12.84 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.08 42.62 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.96 1.03 3.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.454 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -48.31 -58.45 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.452 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 69.4 -50.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.5 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 1.0 OUTLIER -35.0 153.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.4 p -141.38 130.26 23.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.989 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.924 HG23 ' CG2' ' A' ' 65' ' ' THR . 1.2 p -112.32 154.26 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.5 m -113.92 149.16 35.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.385 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -83.87 166.72 17.67 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.603 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.3 p30 -125.91 120.36 30.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.521 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.55 -90.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.603 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.8 m-20 -35.99 -45.8 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.539 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.87 2.43 6.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.436 1.085 . . . . 0.0 110.973 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 39.8 m -78.88 133.11 36.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.848 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -66.27 164.26 16.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 65' ' ' THR . 35.5 p -172.79 107.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.924 ' CG2' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.07 -176.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.625 ' O ' HD12 ' A' ' 67' ' ' LEU . 25.5 p -92.48 128.35 38.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 66' ' ' SER . 2.4 mp -123.27 137.83 54.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.548 ' HB ' HG22 ' A' ' 18' ' ' VAL . 1.4 t -87.84 89.8 8.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.34 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.815 ' HB ' HG23 ' A' ' 17' ' ' THR . 8.6 t -74.77 68.5 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.604 ' HG2' ' OE1' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -42.18 158.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.797 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 4.0 ttt180 -103.01 -62.65 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.452 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 53.0 p -111.44 144.45 40.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.942 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.6 ' CE2' ' SG ' ' A' ' 88' ' ' CYS . 49.2 p90 -177.18 -168.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.605 1.191 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.419 ' HA ' ' C ' ' A' ' 84' ' ' GLY . 0.6 OUTLIER -100.15 114.12 27.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 110.271 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.35 158.63 17.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -141.0 142.55 34.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 0.76 . . . . 0.0 111.038 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.618 HD11 HG13 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -69.53 -46.32 66.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.609 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.7 t80 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.418 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 13.0 ptt85 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.716 ' NE1' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -71.28 -80.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.013 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 129.96 165.47 11.63 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 85' ' ' THR . 1.1 m -67.31 68.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 110.466 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.52 HG22 ' H ' ' A' ' 87' ' ' ASP . 6.5 p -128.54 171.32 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.52 ' H ' HG22 ' A' ' 86' ' ' VAL . 11.3 m-20 -57.65 145.29 34.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.798 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -103.57 -30.39 10.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 108.332 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.491 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -49.56 -33.76 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -23.7 64.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -107.05 24.28 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 38.14 59.19 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 1.031 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -51.11 -179.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 108.223 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 9.0 pm0 -162.12 156.14 21.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.814 HG23 ' HG3' ' A' ' 36' ' ' GLN . 7.5 p -132.3 112.74 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.185 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.435 ' CA ' ' HG2' ' A' ' 106' ' ' GLU . . . -128.88 -169.12 12.53 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.561 1.163 . . . . 0.0 110.934 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.96 HD13 ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.54 147.94 30.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -146.0 97.92 3.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 110.039 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.26 -162.93 26.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.425 1.078 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.52 35.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.444 1.76 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.435 ' HG2' ' CA ' ' A' ' 96' ' ' GLY . 59.5 mp0 -96.08 -89.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.335 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 125.2 -2.7 8.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.546 HG11 ' O ' ' A' ' 95' ' ' VAL . 75.4 t -75.72 68.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.1 113.06 3.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.81 HD13 HG11 ' A' ' 69' ' ' VAL . 66.8 mt -114.51 158.37 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.04 96.31 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.071 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.797 ' CD2' ' HA ' ' A' ' 71' ' ' ARG . 5.8 m-30 -74.76 123.68 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.489 ' C ' ' N ' ' A' ' 24' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.886 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . . . -90.5 125.4 35.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.735 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.9 p -135.79 160.3 38.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.802 HG22 HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -104.99 127.7 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.351 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.619 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.03 -62.8 0.35 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.402 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.933 ' HG2' HG21 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.0 178.98 6.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.53 1.805 . . . . 0.0 110.96 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.475 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 21.4 t -177.43 27.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.025 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.583 ' O ' HD23 ' A' ' 13' ' ' LEU . 7.3 p 172.14 160.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.22 28.33 58.68 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.761 HD12 HG21 ' A' ' 110' ' ' ILE . 7.7 mt -90.95 -145.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.444 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.9 t -158.2 159.66 36.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.525 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 6.5 p-10 -57.17 103.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.435 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 94.3 34.61 6.32 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.505 1.128 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.687 HG21 ' HB3' ' A' ' 13' ' ' LEU . 1.3 m -70.45 88.23 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.74 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.0 t -73.99 83.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.933 HG21 ' HG2' ' A' ' 9' ' ' PRO . 5.4 m -97.93 -178.82 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -86.42 135.26 33.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 6' ' ' THR . 10.2 p -124.92 134.43 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -135.95 149.78 49.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.937 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 106.38 -179.2 22.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 150.8 -158.83 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.566 0.803 . . . . 0.0 109.407 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.32 -2.11 9.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.564 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.8 tp 46.18 69.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.285 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.658 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.4 tp60 -97.56 -82.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 165.22 84.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.603 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 59.64 12.47 19.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.607 1.192 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.4 m -72.8 152.57 41.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 0.743 . . . . 0.0 110.423 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.506 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -63.0 147.67 49.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.767 ' HB3' HD21 ' A' ' 97' ' ' LEU . 3.1 m-30 -146.13 77.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.4 OUTLIER -47.37 131.65 13.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.723 HG13 HD11 ' A' ' 67' ' ' LEU . 52.8 t -75.49 151.01 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.452 1.095 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -119.24 -160.98 11.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.125 . . . . 0.0 111.057 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.612 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 5.3 tp60 155.26 99.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.529 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 55.7 m -122.49 -174.68 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.927 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . -135.38 82.51 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.836 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -68.8 116.82 9.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 107.987 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.047 HG22 ' HB1' ' A' ' 91' ' ' ALA . 24.2 t -115.4 -31.59 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.406 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -178.81 176.52 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.3 m -56.92 91.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.03 -11.15 44.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.482 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 2.4 t -97.59 40.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.478 0.752 . . . . 0.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.836 HD12 ' HB2' ' A' ' 39' ' ' TRP . 8.1 tt -100.48 96.62 7.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.964 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -73.78 89.94 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.529 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -76.34 142.54 41.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.718 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 5.4 t-20 -114.69 90.76 23.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 39.36 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -130.12 1.55 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 1.1 p30 -42.85 -51.2 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 18.3 m-30 67.2 -46.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.19 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.569 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.3 m -34.92 155.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.06 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.7 t -153.16 146.32 24.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.728 ' HB ' HG21 ' A' ' 65' ' ' THR . 1.9 p -135.6 159.9 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -123.57 141.59 51.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.621 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -66.38 177.24 1.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.226 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 60' ' ' ASN . 11.3 p30 -136.0 122.73 21.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.19 -89.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.633 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -39.11 -47.13 1.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.588 1.18 . . . . 0.0 109.337 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.621 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 131.97 -3.98 5.31 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.512 1.133 . . . . 0.0 111.061 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.469 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -73.67 139.8 45.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 0.735 . . . . 0.0 109.985 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.937 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -80.16 156.99 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' A' ' 65' ' ' THR . 1.4 m -159.58 117.3 2.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.728 HG21 ' HB ' ' A' ' 55' ' ' VAL . 9.0 t -177.09 -142.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.548 ' N ' HG23 ' A' ' 65' ' ' THR . 1.1 m -136.26 126.21 25.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.723 HD11 HG13 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -101.46 135.06 43.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.649 ' O ' ' N ' ' A' ' 70' ' ' ARG . 1.2 t -87.16 81.23 8.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.499 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.087 HG11 HG21 ' A' ' 110' ' ' ILE . 6.9 t -58.62 70.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.676 ' HG3' ' CZ ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -68.3 126.31 29.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 110.343 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.525 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 32.0 ttp180 -85.26 -72.33 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 89.5 p -59.91 95.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CE2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -135.62 169.42 17.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -128.36 72.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.405 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -77.52 155.7 43.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 47' ' ' CYS . 50.8 p90 -97.43 136.08 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.529 HD22 ' CD1' ' A' ' 83' ' ' TRP . 3.0 mm? -34.8 -62.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.526 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.406 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.964 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 45.6 m95 -65.55 -94.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 152.9 166.08 14.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.426 1.079 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 85' ' ' THR . 7.0 m -64.86 70.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 0.796 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 84' ' ' GLY . 5.9 p -110.01 166.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.88 100.52 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' ALA . 1.6 m -43.46 -31.01 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 108.312 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 t -48.73 -22.89 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.399 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.16 -26.03 58.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.047 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -126.85 16.56 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 36.94 75.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.901 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 1.3 m -50.8 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 108.346 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -149.14 150.1 32.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.702 ' CG2' HD12 ' A' ' 67' ' ' LEU . 1.4 t -110.32 113.29 43.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -109.5 174.16 17.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.886 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 2.5 tm? -112.29 154.76 25.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.852 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -136.79 136.16 38.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.025 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.431 ' CG ' ' CG ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.431 ' CG ' ' CG ' ' A' ' 99' ' ' ASP . 9.2 p-10 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -87.27 -170.65 46.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -164.54 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.854 ' HG3' HG23 ' A' ' 108' ' ' VAL . 21.5 tp10 -121.79 -40.53 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 94.78 24.29 18.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.854 HG23 ' HG3' ' A' ' 106' ' ' GLU . 76.7 t -79.01 81.53 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.4 110.15 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 1.087 HG21 HG11 ' A' ' 69' ' ' VAL . 2.1 mt -102.86 131.01 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.552 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -85.67 106.7 17.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.955 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.971 ' CE2' HG12 ' A' ' 69' ' ' VAL . 37.1 m-85 -81.31 125.27 30.14 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.379 1.049 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.77 ' CB ' HD23 ' A' ' 97' ' ' LEU . . . -101.81 155.09 18.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.61 ' O ' HG13 ' A' ' 21' ' ' VAL . 13.7 p -151.77 158.47 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.153 . . . . 0.0 110.367 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.983 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.8 t -99.16 134.75 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.395 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.532 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.49 -58.34 0.82 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.983 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.96 -161.52 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.438 1.757 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.99 23.35 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.555 ' O ' HD12 ' A' ' 13' ' ' LEU . 66.8 p 179.88 72.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.969 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.694 ' HA2' HG21 ' A' ' 17' ' ' THR . . . -49.63 -25.43 6.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 11' ' ' SER . 0.7 OUTLIER 45.07 20.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 0.768 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.494 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -148.03 122.6 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.519 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 20.9 t0 -59.64 100.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.558 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 99.09 31.62 6.16 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.46 1.1 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.694 HG21 ' HA2' ' A' ' 12' ' ' GLY . 1.0 OUTLIER -63.3 85.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 110.459 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 16' ' ' GLY . 6.4 t -72.34 98.98 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.774 HG21 ' CG ' ' A' ' 9' ' ' PRO . 34.6 m -124.94 175.47 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -65.82 148.41 51.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.862 HG22 HG13 ' A' ' 7' ' ' VAL . 53.3 t -145.09 143.55 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -147.34 155.94 42.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.881 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 100.53 175.73 29.83 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.772 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 152.54 -161.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.12 -4.95 5.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.153 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.5 OUTLIER 49.93 65.26 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 0.712 . . . . 0.0 109.349 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.689 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 33.4 tp60 -85.59 -94.87 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 162.45 100.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.66 34.45 20.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.821 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 4.7 m -109.97 152.12 26.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 110.438 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.91 150.06 48.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.746 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 5.9 m-85 -144.83 78.11 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -53.23 121.67 7.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.649 ' HA ' HD13 ' A' ' 97' ' ' LEU . 99.1 t -62.09 156.33 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.403 ' HA2' ' CG ' ' A' ' 51' ' ' ASP . . . -151.62 145.73 13.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.429 1.081 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.796 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -136.73 120.82 17.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.455 0.738 . . . . 0.0 110.317 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.486 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 10.9 m -128.76 175.97 8.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.04 135.08 32.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.248 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.608 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -102.64 126.99 49.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 107.983 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.522 HG22 ' HB2' ' A' ' 91' ' ' ALA . 93.5 t -112.36 -27.39 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.547 ' O ' ' CE2' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -160.85 -163.92 1.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.565 ' HA ' ' CH2' ' A' ' 39' ' ' TRP . 1.0 OUTLIER -78.41 -24.68 46.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.419 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.38 11.23 9.14 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.496 1.122 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.572 HG13 HD11 ' A' ' 77' ' ' LEU . 2.8 t -118.63 103.45 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.475 0.75 . . . . 0.0 109.245 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.608 HD22 ' HA ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -137.31 97.94 3.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.517 ' HB1' ' HA3' ' A' ' 75' ' ' GLY . . . -88.83 107.28 18.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.1 m -84.8 157.01 21.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.298 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 57.9 t30 -112.82 91.93 19.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.643 1.214 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -75.02 39.16 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.629 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -133.19 3.24 3.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 109.369 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -44.82 -50.5 10.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 21.7 m-85 63.68 -57.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.574 ' N ' ' O ' ' A' ' 51' ' ' ASP . 3.6 m -31.13 146.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.037 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 p -144.7 141.48 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.748 HG23 ' HB ' ' A' ' 65' ' ' THR . 3.9 p -128.49 -179.18 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.718 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -133.88 153.48 51.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 110.365 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.955 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -84.43 145.33 28.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.5 p30 -109.32 120.63 43.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.81 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -43.38 -44.07 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.955 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 124.87 6.08 6.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.498 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.6 t -76.44 132.15 39.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 109.941 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -67.56 157.26 34.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' A' ' 65' ' ' THR . 34.7 p -162.45 103.34 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.748 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.3 174.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.407 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 5.5 m -89.04 127.93 35.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.852 ' HB2' HG21 ' A' ' 21' ' ' VAL . 5.3 mp -114.74 142.9 45.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 68' ' ' THR . 9.9 t -84.12 97.88 9.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.084 HG12 ' CE2' ' A' ' 112' ' ' PHE . 23.2 t -69.41 65.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.569 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -58.39 132.28 53.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.519 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 2.3 ttt180 -91.03 -74.06 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.5 t -78.75 109.94 13.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.962 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 48' ' ' ASN . 5.5 p90 -148.58 162.79 38.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.425 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 1.0 OUTLIER -82.77 116.2 22.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.517 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -103.43 146.49 16.49 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CG ' ' HB3' ' A' ' 82' ' ' ARG . 9.9 m-85 -125.24 125.3 43.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.06 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.644 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 4.6 mm? -40.8 -68.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.644 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.4 t80 . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.471 ' HB3' ' CG ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.419 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 62.5 m95 -84.42 -49.23 8.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.056 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 76.72 137.95 0.84 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.554 1.159 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.745 ' O ' HG23 ' A' ' 85' ' ' THR . 3.5 t 33.56 46.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 110.411 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.6 p -87.83 147.46 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -77.6 106.8 9.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.696 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -46.4 -31.57 2.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 108.288 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.872 HG21 ' HB3' ' A' ' 113' ' ' ASN . 25.6 p -62.34 -34.41 76.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.47 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.529 ' N ' ' O ' ' A' ' 87' ' ' ASP . 3.2 m -59.82 -31.58 69.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.639 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -135.8 39.47 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.639 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 18.24 63.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 1.7 p -45.65 175.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 108.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.506 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 4.9 pm0 -139.39 159.39 42.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.796 HG23 ' HG2' ' A' ' 36' ' ' GLN . 14.6 p -128.56 119.87 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.39 -176.49 14.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.77 HD23 ' CB ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -106.84 148.74 28.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.8 132.86 40.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.484 ' ND2' ' H ' ' A' ' 104' ' ' GLY . 10.8 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.484 ' H ' ' ND2' ' A' ' 103' ' ' ASN . . . 82.45 159.86 26.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.376 1.048 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -74.97 144.86 30.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.438 1.757 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.1 mt-10 163.55 41.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -82.02 -179.19 52.78 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.506 ' N ' ' HB2' ' A' ' 94' ' ' GLN . 8.7 p -101.67 123.85 55.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.424 0.72 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.76 116.49 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.533 HD11 ' HB ' ' A' ' 7' ' ' VAL . 35.5 mt -114.79 153.96 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -93.27 104.98 17.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.043 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.084 ' CE2' HG12 ' A' ' 69' ' ' VAL . 3.7 m-85 -96.51 158.89 15.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.872 ' HB3' HG21 ' A' ' 89' ' ' THR . 28.4 t-20 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.596 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -106.02 167.51 9.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.706 ' HA ' HG21 ' A' ' 108' ' ' VAL . 17.3 p -152.59 152.85 32.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.343 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.863 HG12 ' CD1' ' A' ' 110' ' ' ILE . 5.9 p -125.09 150.49 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.487 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.78 -56.06 0.88 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.481 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.7 ' HD2' HG22 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.03 -161.39 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.8 . . . . 0.0 111.001 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.876 ' O ' HG23 ' A' ' 110' ' ' ILE . 85.6 p -160.91 -29.82 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.498 ' HA ' ' O ' ' A' ' 111' ' ' SER . 14.1 p -169.44 155.04 5.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.06 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 78.93 28.48 54.33 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 111.066 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.008 HD12 HG11 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -74.35 -147.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.479 0.753 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.97 166.41 32.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.541 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 5.7 p-10 -62.72 99.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.507 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 86.97 34.7 10.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -66.41 82.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.404 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 16' ' ' GLY . 4.9 t -67.09 101.64 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -125.91 173.58 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 65' ' ' THR . 1.5 tttt -73.9 125.11 27.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.767 HG11 HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -111.44 142.84 22.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.44 160.4 40.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.777 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 74.77 -165.31 54.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 141.5 -130.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.93 -2.92 79.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.559 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 46.61 57.27 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.722 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -72.96 -90.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 160.39 95.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . 36.25 56.79 1.15 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.569 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -133.95 150.64 51.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 110.421 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.03 146.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.371 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.791 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -149.3 81.45 1.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 98' ' ' SER . 10.8 t70 -59.14 120.14 8.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.672 HG22 HD21 ' A' ' 67' ' ' LEU . 7.1 t -55.95 153.1 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -130.51 -156.01 8.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.407 1.067 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.879 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 159.28 110.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 11.1 m -130.01 173.71 10.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.365 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.563 ' HB2' ' HZ ' ' A' ' 73' ' ' PHE . . . -137.81 133.7 34.3 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.574 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 24.8 p-90 -101.56 116.18 32.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 108.027 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.704 HG21 ' NE1' ' A' ' 83' ' ' TRP . 86.1 t -83.15 -109.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.625 ' N ' HG12 ' A' ' 40' ' ' VAL . 75.3 m-20 -91.49 36.72 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 41' ' ' ASP . 0.7 OUTLIER 69.61 -58.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -62.26 -16.58 54.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.569 HG13 HD11 ' A' ' 77' ' ' LEU . 14.7 t -125.1 123.02 64.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.374 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 tt -132.7 118.0 18.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.58 ' HB1' ' N ' ' A' ' 76' ' ' PHE . . . -103.88 113.36 26.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.46 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -87.35 161.4 17.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 108.281 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.552 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 5.4 t-20 -114.45 89.51 18.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.07 41.84 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.545 1.813 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.445 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.35 4.83 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.228 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -37.49 -49.65 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.02 -60.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.587 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.0 m -35.81 153.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.419 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 11.2 p -157.52 142.09 16.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.004 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.923 HG21 ' CG2' ' A' ' 65' ' ' THR . 1.2 p -144.84 -157.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.688 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.3 m -144.98 163.05 35.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.79 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -86.76 170.39 11.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.646 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.1 p30 -124.63 118.84 27.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.526 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.83 -89.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.646 ' N ' ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -36.68 -46.48 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.559 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 124.91 5.85 6.7 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.524 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -85.67 134.08 34.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.971 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -66.8 162.79 20.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.447 ' O ' ' HB ' ' A' ' 65' ' ' THR . 78.6 p -162.48 105.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.923 ' CG2' HG21 ' A' ' 55' ' ' VAL . 6.6 t -177.86 -137.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.369 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.537 ' O ' HD12 ' A' ' 67' ' ' LEU . 18.0 p -138.75 129.01 25.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.767 HD22 HG11 ' A' ' 21' ' ' VAL . 5.6 mp -118.96 146.45 44.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.866 HG23 ' NE ' ' A' ' 70' ' ' ARG . 6.5 t -81.22 100.76 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.318 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.008 HG11 HD12 ' A' ' 13' ' ' LEU . 99.4 t -67.56 67.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.866 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -63.49 130.17 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.541 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 5.2 ttp180 -102.32 -74.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.4 p -75.92 90.1 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.034 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.563 ' HZ ' ' HB2' ' A' ' 38' ' ' ALA . 2.9 p90 -135.67 157.95 45.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -81.89 105.99 13.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.341 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.5 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -87.13 150.13 22.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.58 ' N ' ' HB1' ' A' ' 46' ' ' ALA . 2.4 m-85 -133.43 137.3 45.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.606 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 1.1 mm? -57.8 -46.73 84.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.606 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.0 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 111.041 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.421 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.704 ' NE1' HG21 ' A' ' 40' ' ' VAL . 20.1 m95 -80.58 -79.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.623 1.202 . . . . 0.0 108.03 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.638 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 102.5 150.82 23.11 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 15.93 75.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 110.404 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.7 p -125.16 147.65 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.36 119.62 25.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.607 ' SG ' ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -67.62 -36.79 81.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 108.25 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.539 ' OG1' ' CA ' ' A' ' 113' ' ' ASN . 7.5 t -60.22 -24.4 64.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.4 m -77.7 -24.41 49.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -125.92 25.16 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 31.27 61.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 1.4 p -53.65 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 108.313 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.456 ' HB2' ' C ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -137.0 147.56 46.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.344 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.879 HG23 ' HG2' ' A' ' 36' ' ' GLN . 12.9 p -137.74 104.94 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.51 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -136.51 -161.35 9.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -93.62 158.14 15.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -148.97 145.31 27.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.48 ' OD1' ' OD1' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.562 ' C ' ' OD1' ' A' ' 103' ' ' ASN . 6.4 p-10 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -30.81 105.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -74.99 -155.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.57 1.826 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.588 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 5.2 tt0 93.87 54.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.51 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . -50.31 -91.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 95' ' ' VAL . 12.2 p -160.85 105.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.15 106.78 3.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.876 HG23 ' O ' ' A' ' 10' ' ' SER . 10.5 mt -128.68 151.27 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.498 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -77.29 103.03 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.763 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 3.0 m-30 -80.19 5.83 13.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.539 ' CA ' ' OG1' ' A' ' 89' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -109.04 141.5 41.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.6 p -146.43 161.05 41.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.458 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.813 HG13 ' HD2' ' A' ' 9' ' ' PRO . 1.3 p -104.16 169.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.599 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -55.32 -61.77 5.49 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.434 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.813 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -74.88 167.56 26.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.948 ' C ' HG23 ' A' ' 110' ' ' ILE . 43.1 t -132.83 -0.33 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.005 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.457 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 89.7 p 177.87 149.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.37 28.65 32.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.027 HD12 HG11 ' A' ' 69' ' ' VAL . 0.6 OUTLIER -72.66 -145.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.31 171.98 18.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.556 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 19.6 p-10 -65.31 99.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 79.61 35.58 28.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.062 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.77 ' O ' HG22 ' A' ' 17' ' ' THR . 0.8 OUTLIER -64.97 84.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.54 HG12 ' HB3' ' A' ' 66' ' ' SER . 3.8 t -69.7 95.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.778 HG23 ' CG2' ' A' ' 7' ' ' VAL . 0.8 OUTLIER -117.25 177.48 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.41 148.65 49.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 65' ' ' THR . 3.9 p -144.3 149.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -152.65 152.96 32.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.906 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 101.07 177.61 29.13 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.422 1.076 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.07 -156.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.55 -1.19 4.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.541 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.3 tp 49.23 59.01 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.799 ' OE1' HG21 ' A' ' 30' ' ' THR . 2.4 tt0 -84.54 -98.77 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 176.36 96.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 44.17 24.52 0.58 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.799 HG21 ' OE1' ' A' ' 27' ' ' GLN . 32.7 m -91.39 156.6 17.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.784 . . . . 0.0 110.379 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.84 147.97 52.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.548 ' CD1' HD23 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -144.31 78.76 1.59 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -48.42 118.76 2.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.64 ' CG1' HD13 ' A' ' 67' ' ' LEU . 94.6 t -62.97 147.55 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' OD2' ' A' ' 51' ' ' ASP . . . -134.09 140.55 11.87 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.872 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -131.76 117.92 19.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.759 . . . . 0.0 110.363 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.485 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 7.0 m -129.85 170.56 13.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 108.286 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -133.74 112.64 11.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.594 ' HE1' ' HB3' ' A' ' 92' ' ' ALA . 11.1 p-90 -82.12 111.35 18.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 108.01 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.645 HG21 ' CE2' ' A' ' 83' ' ' TRP . 89.7 t -78.84 -109.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.619 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -91.42 37.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 70.23 -58.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 1.18 . . . . 0.0 110.407 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.457 ' N ' HG22 ' A' ' 42' ' ' THR . . . -59.27 -15.5 30.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.478 1.112 . . . . 0.0 110.975 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.519 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 65.2 t -128.42 135.53 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.463 HD23 ' HB3' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -137.26 103.26 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.773 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -79.07 92.96 5.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.485 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -80.89 149.23 29.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 108.217 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.631 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 4.0 t-20 -114.11 89.3 16.68 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -74.91 34.92 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.535 1.808 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.97 3.9 3.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.079 . . . . 0.0 109.389 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -43.4 -49.31 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 71.85 -51.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.545 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.8 m -30.82 144.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 62.2 p -139.77 139.05 36.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.609 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 4.7 p -129.25 154.94 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.2 m -114.13 152.47 31.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -85.57 169.91 13.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.599 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.8 p30 -129.09 119.03 23.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.32 -90.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.369 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.599 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.7 t-20 -35.97 -44.92 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.541 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.4 1.95 7.07 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.513 1.133 . . . . 0.0 111.05 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 4.0 t -77.81 134.92 37.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.74 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.906 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -71.4 160.26 33.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 65' ' ' THR . 65.8 p -162.3 106.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.977 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -179.28 -171.96 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.592 ' N ' HG23 ' A' ' 65' ' ' THR . 19.3 m -100.8 128.63 46.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.039 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.971 ' HG ' HG11 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -111.15 134.81 52.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.905 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -80.1 97.99 7.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 110.418 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.027 HG11 HD12 ' A' ' 13' ' ' LEU . 83.5 t -67.49 65.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.905 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -58.7 127.16 30.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.361 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.556 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 10.4 ttp180 -88.28 -71.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.2 t -75.7 111.35 10.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.589 1.181 . . . . 0.0 109.981 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.663 ' CZ ' ' HD2' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -139.36 166.03 25.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.514 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 4.3 pt-20 -115.97 71.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.495 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -74.82 152.65 44.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.125 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.706 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -102.54 134.29 46.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 0.772 . . . . 0.0 111.006 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.556 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 10.0 mp -38.17 -66.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.661 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.457 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.773 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 86.8 m95 -67.97 -67.84 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 107.965 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.534 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 94.43 134.9 7.62 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.749 ' O ' HG23 ' A' ' 85' ' ' THR . 2.8 t 27.49 45.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 0.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 73' ' ' PHE . 8.0 p -91.82 141.96 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.456 ' O ' ' HB ' ' A' ' 90' ' ' THR . 12.4 m-20 -72.02 90.31 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -52.97 -32.52 46.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 108.306 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.54 ' OG1' ' N ' ' A' ' 113' ' ' ASN . 2.5 t -63.52 -35.71 81.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.444 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -65.61 -28.94 69.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.434 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -109.08 30.62 6.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.594 ' HB3' ' HE1' ' A' ' 39' ' ' TRP . . . 33.91 54.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.555 ' SG ' ' CE2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -50.86 -178.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 108.283 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 13.8 pm0 -140.54 152.96 45.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.872 HG23 ' CG ' ' A' ' 36' ' ' GLN . 14.3 p -139.95 89.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -119.31 -163.65 12.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.001 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -87.41 158.75 18.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 0.799 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 1.001 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -148.4 108.9 4.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.952 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.505 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 1.7 p30 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.505 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 88.24 177.32 47.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.442 1.089 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.454 ' HB3' HD13 ' A' ' 45' ' ' LEU . 18.3 Cg_endo -74.98 98.18 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.541 1.811 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -154.04 19.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -74.7 175.0 50.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 108' ' ' VAL . 9.9 p -91.51 103.44 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.571 0.806 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -72.47 106.37 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.236 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.948 HG23 ' C ' ' A' ' 10' ' ' SER . 38.4 mt -130.42 151.12 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.457 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -70.81 100.51 1.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.064 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.892 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 4.0 m-30 -81.16 12.25 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.54 ' N ' ' OG1' ' A' ' 89' ' ' THR . 33.5 t30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.39 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.449 ' C ' ' N ' ' A' ' 24' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.529 ' CB ' ' HG ' ' A' ' 97' ' ' LEU . . . -77.95 126.2 30.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.528 ' HA ' HG21 ' A' ' 108' ' ' VAL . 18.5 p -151.45 153.84 35.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.35 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.689 HG22 HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -101.16 124.7 55.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.541 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.14 -58.32 0.49 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.946 ' HG2' HG21 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.95 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.792 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.83 28.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.542 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 64.2 p 176.66 63.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.06 . . . . 0.0 109.979 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.689 ' HA3' HG21 ' A' ' 17' ' ' THR . . . -56.04 -24.38 42.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.562 1.164 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.542 ' CD1' ' O ' ' A' ' 11' ' ' SER . 0.3 OUTLIER 47.04 19.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 0.782 . . . . 0.0 109.347 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.497 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -137.85 118.98 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.993 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.573 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 55.5 t0 -54.66 96.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.504 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 99.0 37.11 4.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -67.85 78.45 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 0.741 . . . . 0.0 110.432 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.796 HG12 ' HB2' ' A' ' 66' ' ' SER . 4.6 t -61.89 94.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.946 HG21 ' HG2' ' A' ' 9' ' ' PRO . 12.9 m -106.32 -175.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.075 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -86.73 109.82 19.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.837 HG21 HD22 ' A' ' 67' ' ' LEU . 8.2 p -102.26 126.01 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -133.05 159.2 40.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.838 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 98.16 176.43 33.23 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 152.35 -159.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.8 -2.88 3.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.572 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.9 OUTLIER 49.37 64.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.545 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 3.8 mt-30 -91.23 -96.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 172.35 87.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.449 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 66.12 15.27 62.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 31' ' ' ALA . 94.7 m -71.58 171.8 10.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.478 ' N ' HG22 ' A' ' 30' ' ' THR . . . -100.12 142.54 31.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.778 ' HB3' HD13 ' A' ' 97' ' ' LEU . 21.5 m-85 -137.93 77.25 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.43 127.83 23.69 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.754 HG21 ' HB3' ' A' ' 53' ' ' SER . 38.6 t -58.01 164.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.483 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -133.67 -75.56 0.1 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.763 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 69.45 102.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 29.4 m -121.67 178.82 4.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 108.337 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.858 ' HB2' ' SG ' ' A' ' 88' ' ' CYS . . . -130.41 91.88 3.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -72.07 113.61 9.3 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.575 1.172 . . . . 0.0 108.007 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.09 HG22 ' HB1' ' A' ' 91' ' ' ALA . 16.7 t -110.79 -28.32 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER 177.65 174.68 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.38 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.1 m -55.83 91.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.08 . . . . 0.0 110.322 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.33 -10.39 46.69 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.431 1.082 . . . . 0.0 111.096 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.623 HG13 HD21 ' A' ' 77' ' ' LEU . 2.2 t -97.2 40.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.593 0.819 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.91 ' O ' HD23 ' A' ' 45' ' ' LEU . 2.6 tt -99.32 96.23 7.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.632 ' HB1' ' C ' ' A' ' 75' ' ' GLY . . . -76.59 93.68 3.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.566 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -70.35 154.59 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 108.255 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.518 ' C ' ' H ' ' A' ' 50' ' ' ALA . 24.6 t-20 -115.52 81.17 8.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.94 28.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.472 1.775 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -126.38 0.09 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -46.75 -53.93 10.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.593 1.183 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.516 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER 78.01 -39.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.754 ' HB3' HG21 ' A' ' 34' ' ' VAL . 18.0 m -43.27 158.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.7 p -156.06 143.45 19.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.71 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 5.2 p -128.58 146.74 33.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.7 m -108.17 151.79 25.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.424 1.078 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -77.3 170.68 16.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.647 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.5 p30 -131.29 120.47 23.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.521 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.35 -88.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.647 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.9 t-20 -37.61 -46.75 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.187 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.572 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 129.78 -1.38 5.93 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.489 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -77.0 135.99 38.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 0.716 . . . . 0.0 109.984 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.838 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -69.42 160.07 32.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.165 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' A' ' 65' ' ' THR . 31.1 p -166.71 110.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.616 HG23 ' N ' ' A' ' 66' ' ' SER . 2.5 t -177.61 -162.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.796 ' HB2' HG12 ' A' ' 18' ' ' VAL . 87.8 p -107.66 133.61 51.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.837 HD22 HG21 ' A' ' 21' ' ' VAL . 1.3 mp -126.66 122.69 35.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.562 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 2.7 t -69.56 94.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.829 HG11 HG21 ' A' ' 110' ' ' ILE . 98.9 t -64.93 67.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.598 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 0.2 OUTLIER -47.83 146.19 2.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.59 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -104.3 -49.55 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.1 p -131.17 144.51 51.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.575 1.172 . . . . 0.0 109.979 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 50.5 p90 -179.97 -167.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -88.43 111.6 21.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.372 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.632 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -113.0 136.33 13.37 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.604 ' CD2' ' CB ' ' A' ' 82' ' ' ARG . 6.4 m-85 -121.93 131.01 53.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.623 HD21 HG13 ' A' ' 44' ' ' VAL . 6.4 mp -69.26 -49.66 54.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.1 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.604 ' CB ' ' CD2' ' A' ' 76' ' ' PHE . 1.8 ptt180 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.641 ' HB3' HG11 ' A' ' 86' ' ' VAL . 78.7 m95 -60.29 -93.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 107.996 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 106.2 136.04 8.27 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.803 ' O ' HG23 ' A' ' 85' ' ' THR . 3.4 t 23.87 52.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 0.719 . . . . 0.0 110.389 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.641 HG11 ' HB3' ' A' ' 83' ' ' TRP . 8.0 p -114.9 158.23 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.79 128.02 34.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.858 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -94.8 -31.48 13.72 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.466 1.104 . . . . 0.0 108.312 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.461 ' HB ' ' HB2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -54.62 -36.86 64.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 1.082 . . . . 0.0 110.376 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.35 -27.99 65.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.464 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.09 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -105.28 24.01 12.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 34.54 70.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.08 -179.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 108.348 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 1.3 pt20 -155.77 140.96 17.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.763 HG23 ' CG ' ' A' ' 36' ' ' GLN . 3.6 p -105.76 117.86 52.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -144.23 150.95 23.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.778 HD13 ' HB3' ' A' ' 32' ' ' TYR . 4.4 pp -103.49 156.88 17.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.53 127.09 28.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.951 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.495 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.446 ' ND2' ' H ' ' A' ' 104' ' ' GLY . 12.6 t30 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.446 ' H ' ' ND2' ' A' ' 103' ' ' ASN . . . 73.95 161.55 7.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 111.055 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 165.56 31.04 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.808 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -98.74 -46.53 5.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.55 14.32 44.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.575 1.172 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.528 HG21 ' HA ' ' A' ' 6' ' ' THR . 73.0 t -78.04 80.1 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.75 111.5 6.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.829 HG21 HG11 ' A' ' 69' ' ' VAL . 5.4 mt -103.79 149.92 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -92.01 95.29 9.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.033 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.662 ' CE1' ' O ' ' A' ' 110' ' ' ILE . 1.3 m-85 -91.98 153.8 19.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 111.06 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.54 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 17.9 m-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.515 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -99.84 167.73 10.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.515 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 2.5 p -154.19 156.84 37.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.456 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.075 HG12 ' HD2' ' A' ' 9' ' ' PRO . 5.6 t -120.09 133.1 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.065 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.588 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.1 -61.03 0.51 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.36 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.075 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.94 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 0.0 111.062 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.533 ' C ' HG23 ' A' ' 110' ' ' ILE . 9.9 t -151.21 23.61 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.082 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.496 ' N ' HG23 ' A' ' 110' ' ' ILE . 0.6 OUTLIER -156.08 101.18 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.932 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.714 ' H ' HG22 ' A' ' 110' ' ' ILE . . . -79.4 13.18 23.04 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.452 1.095 . . . . 0.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.695 ' C ' ' O ' ' A' ' 12' ' ' GLY . 5.8 mt -8.94 -70.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -59.0 115.0 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.962 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 9.8 t70 -52.16 101.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 96.93 36.73 4.9 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.841 ' O ' HG23 ' A' ' 69' ' ' VAL . 2.3 m -62.27 88.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.449 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.785 HG22 ' HB ' ' A' ' 68' ' ' THR . 4.2 t -75.1 100.71 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.682 HG21 ' CG ' ' A' ' 9' ' ' PRO . 5.2 m -132.89 171.15 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -51.0 141.69 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.843 HG11 HD22 ' A' ' 67' ' ' LEU . 18.2 t -147.86 128.32 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -131.05 160.01 35.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.367 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.889 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 100.32 175.17 30.09 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.75 -158.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.423 ' C ' ' OH ' ' A' ' 32' ' ' TYR . . . -63.08 -2.24 4.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.514 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 48.52 60.84 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.265 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.598 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 4.9 tt0 -84.2 -99.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 169.24 96.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.16 39.09 26.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.768 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 51.6 m -115.92 156.89 25.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 0.751 . . . . 0.0 110.359 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.04 151.04 41.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.599 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 1.8 m-85 -148.45 79.35 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.34 124.96 14.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.6 HG22 HD21 ' A' ' 67' ' ' LEU . 70.5 t -64.32 150.79 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.7 143.48 11.5 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -132.56 115.85 15.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.597 0.822 . . . . 0.0 110.316 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 93' ' ' CYS . 3.9 m -126.43 172.82 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.728 ' HB2' ' CB ' ' A' ' 93' ' ' CYS . . . -149.51 162.78 39.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.594 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 37.4 m0 -90.76 143.05 27.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 107.976 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.508 HG12 ' H ' ' A' ' 41' ' ' ASP . 4.8 t -116.19 -128.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.508 ' H ' HG12 ' A' ' 40' ' ' VAL . 8.0 m-20 -58.74 -177.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.57 1.169 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.3 m -69.95 89.87 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 110.378 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.52 -7.51 34.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.556 1.16 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.494 ' CG2' ' HB2' ' A' ' 41' ' ' ASP . 98.6 t -95.79 138.11 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 46' ' ' ALA . 2.3 tt -133.14 144.58 50.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.423 ' N ' HD23 ' A' ' 45' ' ' LEU . . . -126.75 122.0 33.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -95.18 159.5 14.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.354 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 32.6 t-20 -112.05 93.29 20.88 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.407 1.067 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.96 39.58 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -129.25 -0.54 5.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -46.99 -54.0 11.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.354 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 1.2 m-85 63.64 -54.04 0.22 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.578 1.174 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 51' ' ' ASP . 3.4 m -32.81 150.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.964 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.6 p -145.95 141.97 28.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.701 HG23 ' HB ' ' A' ' 65' ' ' THR . 9.0 p -132.81 175.75 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.646 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -124.72 157.3 35.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 0.0 110.434 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.781 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -88.11 155.02 20.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 60' ' ' ASN . 12.8 p30 -117.89 121.23 40.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.65 -91.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.607 ' N ' ' O ' ' A' ' 58' ' ' ASP . 3.6 m-20 -39.73 -44.64 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.781 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 124.31 5.3 7.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 13.8 m -80.27 133.2 35.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 0.786 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.889 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -66.98 158.16 31.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.7 p -159.02 101.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.701 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.57 173.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 9.5 m -86.66 122.0 29.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.843 HD22 HG11 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -113.18 144.93 41.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.81 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -84.99 115.76 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.029 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.7 t -84.66 61.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.81 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.4 OUTLIER -44.0 133.7 4.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 2.4 ttm180 -90.11 -71.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.432 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 5.7 p -99.83 152.74 19.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.988 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CZ ' ' CB ' ' A' ' 88' ' ' CYS . 1.8 p90 179.11 -169.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -98.1 76.08 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.84 140.62 38.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 4.3 t80 -122.04 151.89 40.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 0.78 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 1.6 mm? -62.01 -59.29 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.555 ' CG ' ' N ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -156.76 -62.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.555 ' N ' ' CG ' ' A' ' 83' ' ' TRP . . . -34.19 -86.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.425 1.078 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 85' ' ' THR . 1.0 OUTLIER 36.41 32.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.775 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 179.42 -165.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.381 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.775 ' N ' HG13 ' A' ' 86' ' ' VAL . 1.7 m-20 -52.42 120.26 5.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -91.62 -21.68 20.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.162 . . . . 0.0 108.394 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.587 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 3.3 t -50.77 -27.84 8.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -23.66 66.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.681 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -111.94 41.45 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.681 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 13.14 73.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.728 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . 2.0 m -70.93 -175.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 108.265 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.536 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 3.5 pm0 -150.92 163.11 39.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.208 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.479 HG12 HD12 ' A' ' 110' ' ' ILE . 7.3 p -125.46 102.4 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 5' ' ' ALA . . . -113.46 163.39 12.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.495 HD23 ' HB2' ' A' ' 5' ' ' ALA . 0.9 OUTLIER -93.58 146.56 23.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.33 136.33 45.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.6 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.6 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 95.32 149.74 26.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -74.93 142.53 28.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.435 1.755 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 3.3 mt-10 165.15 41.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.254 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.85 -167.97 42.97 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.536 ' O ' ' CB ' ' A' ' 94' ' ' GLN . 14.0 p -104.44 134.1 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.68 119.1 20.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.245 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.749 HD11 ' CG2' ' A' ' 7' ' ' VAL . 49.1 mt -122.85 146.83 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.553 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -80.78 98.43 7.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.035 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.029 ' CE2' HG12 ' A' ' 69' ' ' VAL . 70.9 m-85 -81.84 10.33 6.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.502 ' N ' ' OG1' ' A' ' 89' ' ' THR . 1.4 m-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.346 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.473 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.383 -0.229 . . . . 0.0 110.383 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.957 ' CB ' HD23 ' A' ' 97' ' ' LEU . . . -99.33 171.15 8.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.66 ' HA ' HG21 ' A' ' 108' ' ' VAL . 81.4 p -154.1 156.46 37.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.976 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.5 t -107.68 132.62 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.625 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.63 -62.74 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.369 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.976 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.0 -160.63 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.567 1.825 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.616 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.8 t 159.99 28.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.479 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 17.1 p 179.5 141.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.059 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 61.93 36.25 92.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.944 HD12 HG21 ' A' ' 110' ' ' ILE . 5.2 mt -92.04 -145.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.86 159.42 39.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.439 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 10.4 p-10 -64.67 99.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.498 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 98.07 29.24 7.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.631 ' O ' HG22 ' A' ' 17' ' ' THR . 0.7 OUTLIER -71.45 96.8 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.403 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.6 t -81.25 104.2 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.789 HG21 ' CG ' ' A' ' 9' ' ' PRO . 30.6 m -127.62 171.06 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -60.05 138.89 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.93 ' CG2' HG13 ' A' ' 7' ' ' VAL . 20.5 t -142.29 144.01 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -146.33 157.65 43.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.77 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 102.48 177.52 27.31 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 155.06 -154.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.33 -2.47 7.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.492 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 5.4 tp 51.44 69.11 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.76 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.621 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -93.73 -94.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 167.83 95.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 44.5 43.05 7.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.605 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 91.4 m -115.08 155.78 26.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 0.795 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.05 148.51 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.807 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 4.9 m-85 -151.15 81.18 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.69 132.51 45.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.546 HG12 ' OD2' ' A' ' 51' ' ' ASP . 95.5 t -76.46 148.54 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -131.0 -167.42 11.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 175.53 111.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 0.758 . . . . 0.0 110.338 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 7.4 m -110.24 175.77 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.585 ' CB ' ' SG ' ' A' ' 93' ' ' CYS . . . -129.75 92.19 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.373 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.435 ' O ' ' O ' ' A' ' 91' ' ' ALA . 22.6 t90 -73.33 105.81 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 107.999 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.808 HG22 ' CB ' ' A' ' 91' ' ' ALA . 22.0 t -107.98 -25.63 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.521 ' HB3' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -172.86 -172.82 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.8 m -54.11 -55.94 22.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.59 32.62 6.12 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.811 HG13 ' CZ2' ' A' ' 83' ' ' TRP . 9.6 t -128.04 44.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.773 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.493 ' O ' HD23 ' A' ' 77' ' ' LEU . 5.8 tt -107.68 110.97 22.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.716 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -97.73 110.34 22.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -84.15 144.83 28.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 108.31 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 46.6 t30 -117.69 80.32 13.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 23.22 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -116.66 2.1 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.546 ' OD2' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -36.59 -34.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.603 1.189 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER 76.49 -55.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.972 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.466 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 3.5 m -38.61 154.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.938 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -155.91 145.61 21.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.601 ' CG1' HD11 ' A' ' 97' ' ' LEU . 2.4 p -141.02 168.33 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.551 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -115.44 152.7 32.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.47 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.807 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -78.72 166.63 22.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.618 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.3 p30 -126.69 120.02 28.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.505 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.78 -90.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.618 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.0 m-20 -36.49 -43.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.56 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 121.09 10.58 6.71 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -89.21 131.51 35.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 109.971 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -64.42 163.9 12.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.402 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 10.1 p -160.05 109.28 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.599 HG23 ' N ' ' A' ' 66' ' ' SER . 0.4 OUTLIER 174.69 176.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.406 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.599 ' N ' HG23 ' A' ' 65' ' ' THR . 91.9 p -88.54 121.74 31.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.777 HD22 HG11 ' A' ' 21' ' ' VAL . 11.0 mp -109.57 145.51 36.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.655 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 7.5 t -91.29 101.79 14.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.966 HG11 HD12 ' A' ' 110' ' ' ILE . 1.8 t -74.74 62.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.655 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.2 OUTLIER -50.2 137.28 18.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 110.297 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.602 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 4.8 ttm180 -113.71 -71.93 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 110.267 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.5 p -59.77 84.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.653 ' CD2' ' N ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -177.79 -176.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.653 ' N ' ' CD2' ' A' ' 73' ' ' PHE . 3.2 mt-10 -159.44 162.62 35.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.578 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -127.99 -159.55 10.1 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.411 1.07 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 4.4 m-85 -102.46 142.23 33.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 0.811 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.678 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 5.4 mt -72.7 -39.6 66.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.376 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.678 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 5.9 t80 . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.59 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 10.3 ptt180 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.811 ' CZ2' HG13 ' A' ' 44' ' ' VAL . 20.4 m95 -88.35 -53.46 4.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.478 ' C ' ' HB2' ' A' ' 74' ' ' GLU . . . 129.08 -100.2 0.5 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.564 HG23 ' HA ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -150.93 102.09 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 110.407 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.53 ' CG1' ' OE2' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -135.26 166.75 27.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.37 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.429 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.4 OUTLIER -56.69 114.32 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.56 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.7 m -70.05 -40.86 74.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 108.281 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.1 t -44.4 -28.2 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 110.421 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.3 m -70.15 -26.32 63.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.808 ' CB ' HG22 ' A' ' 40' ' ' VAL . . . -124.31 11.03 8.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 40.92 72.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.585 ' SG ' ' CB ' ' A' ' 38' ' ' ALA . 23.4 m -54.01 173.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.276 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.494 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -138.46 150.19 46.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.48 HG11 HG21 ' A' ' 7' ' ' VAL . 2.7 p -122.89 121.45 63.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.431 ' CA ' ' HA2' ' A' ' 107' ' ' GLY . . . -129.61 178.99 17.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.957 HD23 ' CB ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -101.86 152.21 21.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.5 148.09 47.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.036 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.6 t30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -126.05 179.48 16.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.404 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -75.07 135.49 19.02 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.462 1.769 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.2 OUTLIER 172.23 38.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.431 ' HA2' ' CA ' ' A' ' 96' ' ' GLY . . . -69.77 -179.05 23.51 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.66 HG21 ' HA ' ' A' ' 6' ' ' THR . 5.2 t -104.15 119.02 52.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.44 114.53 6.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.966 HD12 HG11 ' A' ' 69' ' ' VAL . 6.0 mt -113.05 141.43 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -94.53 103.89 15.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.987 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.803 ' HE2' HG12 ' A' ' 69' ' ' VAL . 2.1 m-85 -85.12 126.84 33.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.78 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . -92.25 173.99 7.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.969 ' O ' HG13 ' A' ' 21' ' ' VAL . 33.2 p -151.07 152.7 33.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.451 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.626 HG13 ' HD2' ' A' ' 9' ' ' PRO . 3.1 t -97.97 115.51 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.642 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -32.24 -64.27 0.24 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HB2' HD21 ' A' ' 13' ' ' LEU . 18.5 Cg_endo -74.91 -78.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.774 ' HA ' HG23 ' A' ' 110' ' ' ILE . 26.4 t 70.24 31.06 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.971 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.48 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 78.2 p -171.89 131.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.61 34.54 63.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.806 HD12 HG11 ' A' ' 69' ' ' VAL . 9.9 mt -90.6 -148.2 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 109.385 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -166.86 163.95 16.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.963 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.421 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 17.8 p-10 -61.3 87.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.456 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 110.39 34.36 2.31 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.524 1.14 . . . . 0.0 111.053 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.9 HG22 HG13 ' A' ' 19' ' ' VAL . 1.5 m -86.43 94.69 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.407 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.5 t -75.73 98.75 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.9 HG13 HG22 ' A' ' 17' ' ' THR . 13.1 m -115.64 174.24 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -72.88 148.17 44.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.969 HG13 ' O ' ' A' ' 6' ' ' THR . 76.3 t -145.15 140.67 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -136.46 157.63 46.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.91 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 100.28 -172.53 24.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.428 1.08 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.762 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 141.56 -153.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.39 -6.02 7.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.463 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER 46.95 64.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 0.783 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 21.4 mt-30 -90.46 -100.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.249 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 174.14 80.39 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.632 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . 73.13 22.59 78.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 31' ' ' ALA . 90.1 m -90.04 174.04 7.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 110.377 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.515 ' N ' HG22 ' A' ' 30' ' ' THR . . . -93.62 149.09 21.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.589 ' O ' HD12 ' A' ' 97' ' ' LEU . 9.9 m-85 -144.0 78.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -49.62 127.77 16.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.653 HG21 ' CB ' ' A' ' 53' ' ' SER . 58.2 t -50.8 146.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.555 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -114.89 -90.27 1.71 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.549 1.156 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.922 ' NE2' HG22 ' A' ' 95' ' ' VAL . 0.9 OUTLIER 72.58 113.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.783 . . . . 0.0 110.35 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 43.9 m -129.36 -179.3 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 108.324 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -155.32 177.03 11.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.512 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 2.2 t-105 -111.16 136.24 50.51 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.974 HG13 ' CH2' ' A' ' 83' ' ' TRP . 43.0 t -71.53 -101.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.749 ' N ' HG12 ' A' ' 40' ' ' VAL . 2.9 t0 -173.74 35.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.872 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.0 OUTLIER 178.66 84.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 110.414 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 42' ' ' THR . . . 34.4 33.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 42' ' ' THR . 39.6 t -122.76 144.39 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -122.17 120.3 33.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -105.92 110.59 22.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.533 ' O ' ' CA ' ' A' ' 75' ' ' GLY . 1.1 m -78.36 173.62 12.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 108.261 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 8.3 t-20 -119.45 72.57 14.43 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.503 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.02 39.93 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -128.1 -2.67 5.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -46.9 -59.35 3.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.069 . . . . 0.0 109.266 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.422 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 70.81 -8.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.653 ' CB ' HG21 ' A' ' 34' ' ' VAL . 8.5 m -80.3 165.74 22.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.976 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 10.4 p -152.46 139.79 19.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.879 HG23 ' HB ' ' A' ' 65' ' ' THR . 8.3 p -122.45 155.82 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -114.33 139.86 49.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.632 ' HB3' ' H ' ' A' ' 29' ' ' GLY . . . -59.92 -176.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.692 ' O ' ' C ' ' A' ' 59' ' ' ALA . 54.2 p30 -142.29 131.94 24.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.692 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -7.94 77.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.689 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.0 t30 151.54 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.558 ' CA ' ' HB1' ' A' ' 57' ' ' ALA . . . 124.06 -14.13 7.95 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.39 1.056 . . . . 0.0 111.035 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -70.32 130.52 42.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.908 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.91 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.83 162.97 25.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.2 p -164.96 112.31 1.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.879 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.11 172.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.395 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 90.7 p -89.06 116.31 27.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.163 . . . . 0.0 109.977 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.698 ' HB2' HG21 ' A' ' 21' ' ' VAL . 4.8 mp -101.94 151.84 21.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.412 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -85.3 96.64 9.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.347 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.108 HG12 ' CE2' ' A' ' 112' ' ' PHE . 6.3 t -76.4 65.44 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.527 ' NH2' ' CB ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -67.38 148.29 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.607 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 7.3 ttm180 -118.4 -73.52 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -67.1 102.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.607 ' CD2' ' O ' ' A' ' 71' ' ' ARG . 10.9 p90 -165.46 -177.59 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HB3' ' N ' ' A' ' 85' ' ' THR . 1.1 pt-20 -123.6 114.12 19.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -86.97 -166.21 42.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 2.8 m-85 -133.15 137.32 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.617 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -39.03 -59.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.617 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.977 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.974 ' CH2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -104.76 -86.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 107.994 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 163.97 141.13 3.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 85' ' ' THR . 10.2 t -69.07 73.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.413 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 87' ' ' ASP . 11.5 p -109.52 163.64 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.601 1.188 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.422 ' O ' ' HB ' ' A' ' 90' ' ' THR . 5.8 m-20 -77.21 106.17 8.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.654 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -43.16 -33.93 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.359 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.424 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 4.0 m -50.13 -25.93 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.2 m -74.58 -24.33 58.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.44 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.586 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -127.16 27.77 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.586 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 24.86 59.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.251 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.616 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 15.5 p -48.04 177.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.464 ' HB2' ' C ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -136.28 159.88 40.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.015 HG21 HG13 ' A' ' 69' ' ' VAL . 2.8 t -125.51 116.05 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 106' ' ' GLU . . . -135.63 -171.14 12.28 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.561 1.163 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.78 HD23 ' HB2' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -110.91 152.3 26.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 0.753 . . . . 0.0 109.26 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.0 126.58 34.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 103' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.457 ' N ' ' OD1' ' A' ' 99' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.31 -128.81 7.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.083 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 116.39 4.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.403 ' CB ' ' HA3' ' A' ' 96' ' ' GLY . 19.4 mm-40 -101.77 -70.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' A' ' 108' ' ' VAL . . . 122.99 -157.45 17.51 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.155 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.818 ' O ' HD12 ' A' ' 110' ' ' ILE . 15.2 t 82.39 71.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.326 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.09 111.83 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 108' ' ' VAL . 1.8 mp -103.83 144.78 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -87.77 100.94 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.108 ' CE2' HG12 ' A' ' 69' ' ' VAL . 41.1 m-85 -91.28 136.53 33.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 53.9 t30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 179.982 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.497 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -103.76 166.55 10.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.932 ' HA ' HG11 ' A' ' 108' ' ' VAL . 3.4 p -153.17 159.74 42.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.912 HG23 HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -103.32 133.29 47.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.602 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.07 -61.55 0.48 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 0.0 110.425 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.602 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.06 -86.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.83 ' HA ' HG23 ' A' ' 110' ' ' ILE . 1.1 p 87.55 22.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.509 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 13.9 p -171.29 134.91 0.92 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.908 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.81 37.26 83.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.753 HD12 HG11 ' A' ' 69' ' ' VAL . 2.5 mt -77.16 -146.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 0.706 . . . . 0.0 109.379 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.473 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.7 t -165.78 162.22 18.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.413 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 8.0 p-10 -55.44 87.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.438 1.086 . . . . 0.0 109.357 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.492 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 96.78 42.24 3.39 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 17' ' ' THR . 1.0 OUTLIER -73.43 89.0 1.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 110.391 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.3 t -76.58 85.38 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.56 HG23 HG22 ' A' ' 7' ' ' VAL . 17.1 m -108.69 172.18 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -70.03 146.47 51.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.912 HG23 HG23 ' A' ' 7' ' ' VAL . 1.3 t -139.98 148.2 23.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -143.61 151.04 39.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.777 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 103.68 -172.68 21.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 144.65 -154.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.72 -3.08 8.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER 46.69 59.65 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 0.789 . . . . 0.0 109.298 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.612 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.8 mm-40 -80.64 -97.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.432 1.083 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 169.03 102.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.53 25.71 2.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.64 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 94.9 m -97.47 166.73 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.69 147.28 33.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.552 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 4.1 m-85 -146.12 78.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.47 138.46 46.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.746 HG21 ' CB ' ' A' ' 53' ' ' SER . 34.9 t -57.49 159.39 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.565 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -121.76 -88.8 0.98 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.577 ' CB ' ' NH2' ' A' ' 70' ' ' ARG . 3.6 tp60 73.64 105.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 0.729 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.565 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 15.9 m -122.56 -179.36 4.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 108.339 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -145.25 99.47 3.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.722 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -62.81 148.37 47.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.807 HG11 ' CZ2' ' A' ' 83' ' ' TRP . 14.9 t -132.24 -123.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB2' HG21 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -57.66 177.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.3 m -67.17 90.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.1 -19.35 15.28 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.018 HG13 HD11 ' A' ' 77' ' ' LEU . 44.1 t -78.42 123.96 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 2.4 tt -134.82 125.32 26.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.741 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -110.27 93.97 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.565 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -75.48 156.33 35.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.246 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.701 ' ND2' ' CE2' ' A' ' 73' ' ' PHE . 25.4 t-20 -116.06 80.15 8.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.95 31.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -123.23 0.16 8.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.632 ' C ' ' H ' ' A' ' 53' ' ' SER . 1.7 p-10 -38.61 -39.91 0.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.601 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 3.0 m-85 65.23 -15.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.746 ' CB ' HG21 ' A' ' 34' ' ' VAL . 27.7 m -79.65 162.07 25.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.4 p -157.5 148.29 21.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 109.932 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.641 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -134.98 164.73 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.505 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 2.0 m -112.64 151.35 30.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.812 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -84.62 153.71 23.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.58 ' O ' ' N ' ' A' ' 60' ' ' ASN . 3.5 p30 -117.18 118.77 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.47 -91.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.7 m-20 -40.57 -43.83 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.812 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 125.81 5.41 6.39 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.465 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -72.39 127.7 33.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 109.98 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -77.01 149.88 35.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.449 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 51.8 p -144.06 109.1 4.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.502 ' CG2' ' HB ' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -179.49 167.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.443 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 93.0 p -89.7 130.4 35.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.958 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.848 HD22 HG11 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -114.34 150.71 34.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.467 ' O ' ' OE1' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -90.95 97.63 11.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.094 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.5 t -75.75 63.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.577 ' NH2' ' CB ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -51.54 144.45 10.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.235 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 88' ' ' CYS . 8.7 tmm_? -112.09 -60.88 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.9 p -74.89 88.82 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.701 ' CE2' ' ND2' ' A' ' 48' ' ' ASN . 0.4 OUTLIER -178.9 -169.68 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.868 ' HG2' HG12 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -158.68 160.34 36.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.578 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -114.69 -162.61 14.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.588 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 3.7 m-85 -112.56 139.17 48.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.018 HD11 HG13 ' A' ' 44' ' ' VAL . 1.2 mm? -51.22 -47.7 62.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.497 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.7 t80 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.588 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.807 ' CZ2' HG11 ' A' ' 40' ' ' VAL . 66.5 m95 -81.07 -71.15 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.409 ' C ' ' HB2' ' A' ' 74' ' ' GLU . . . 129.26 -103.74 0.61 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER -148.06 99.66 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.78 . . . . 0.0 110.381 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.868 HG12 ' HG2' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -125.0 174.67 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.42 ' H ' HG22 ' A' ' 86' ' ' VAL . 61.9 m-20 -77.47 102.34 6.85 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.904 ' O ' HG22 ' A' ' 89' ' ' THR . 2.8 t -71.46 -142.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 108.301 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.904 HG22 ' O ' ' A' ' 88' ' ' CYS . 10.9 t 56.16 -5.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.128 . . . . 0.0 110.465 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.724 ' H ' ' C ' ' A' ' 88' ' ' CYS . 0.7 OUTLIER -103.16 -34.99 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.36 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.722 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -98.58 -8.14 26.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 72.03 91.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.263 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.645 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -82.51 176.14 9.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 108.32 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.633 ' NE2' ' CE3' ' A' ' 39' ' ' TRP . 7.2 pm0 -143.16 156.07 44.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.858 ' O ' HG12 ' A' ' 108' ' ' VAL . 41.2 t -129.34 112.31 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.402 ' HA3' ' HA2' ' A' ' 107' ' ' GLY . . . -139.34 177.37 20.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.52 ' HG ' ' CG1' ' A' ' 55' ' ' VAL . 1.6 mm? -103.48 154.95 18.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.509 0.77 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.5 t -158.4 121.91 3.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.97 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.552 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -167.73 -126.79 0.86 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.429 1.08 . . . . 0.0 110.991 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.401 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -75.05 120.09 5.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 167.45 43.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 110.225 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.467 ' HA3' ' CG ' ' A' ' 94' ' ' GLN . . . -67.68 175.61 26.17 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.932 HG11 ' HA ' ' A' ' 6' ' ' THR . 3.3 p -102.03 123.97 55.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.541 0.789 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.27 108.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.83 HG23 ' HA ' ' A' ' 10' ' ' SER . 9.8 mt -113.34 148.98 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.509 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -91.0 107.05 18.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.094 ' CE2' HG12 ' A' ' 69' ' ' VAL . 45.8 m-85 -85.29 131.52 34.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 1.188 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 41.2 t30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 179.99 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.494 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 3.6 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.939 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -72.88 132.67 43.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.505 HG23 ' C ' ' A' ' 5' ' ' ALA . 52.1 p -156.01 152.6 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.134 HG22 HG22 ' A' ' 21' ' ' VAL . 2.1 t -106.91 118.41 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.793 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -21.44 -71.69 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.394 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.793 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.0 Cg_endo -75.12 -90.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.677 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.8 p 88.0 32.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.532 ' O ' HD23 ' A' ' 13' ' ' LEU . 81.1 p -167.87 146.99 4.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.964 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.88 40.98 50.91 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.899 HD12 HG11 ' A' ' 69' ' ' VAL . 11.9 mt -90.09 -148.77 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.448 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.4 OUTLIER -165.05 164.54 20.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.999 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.472 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 6.4 p-10 -58.2 101.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.87 35.47 6.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 69' ' ' VAL . 2.0 m -79.72 85.85 5.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 0.753 . . . . 0.0 110.459 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 8.0 t -73.22 100.79 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -118.21 170.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -66.31 124.82 23.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.134 HG22 HG22 ' A' ' 7' ' ' VAL . 45.0 t -122.39 143.08 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.217 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.16 162.71 34.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.905 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 83.68 -163.97 40.89 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.939 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . . . 143.65 -136.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' C ' ' OH ' ' A' ' 32' ' ' TYR . . . -76.14 0.47 62.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 40.96 61.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.639 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.1 tp60 -86.01 -97.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 166.59 99.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 42.17 57.41 3.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.679 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -136.74 152.65 50.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 0.77 . . . . 0.0 110.414 179.948 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.24 146.73 14.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.781 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 1.6 m-85 -146.87 80.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -57.45 123.48 15.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.576 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 70.7 t -65.21 155.45 6.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -130.36 -157.96 9.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.597 ' CD ' HG22 ' A' ' 95' ' ' VAL . 1.0 OUTLIER 159.11 114.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.541 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 29.0 m -128.7 175.86 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 108.327 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.588 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -130.94 138.61 49.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.898 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -104.87 109.68 21.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 107.997 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.938 HG11 ' CZ2' ' A' ' 83' ' ' TRP . 76.8 t -84.31 -104.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.692 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -92.58 35.39 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 69.45 -58.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 42' ' ' THR . . . -65.36 -16.68 63.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.529 HG12 ' HE1' ' A' ' 83' ' ' TRP . 3.5 t -120.77 122.7 68.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.588 HD23 ' O ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -126.1 121.53 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.355 1.034 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.867 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -98.9 95.84 7.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.541 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -73.35 156.05 38.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 108.347 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 24.8 t-20 -113.93 89.15 15.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -74.92 34.86 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.526 1.803 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -135.06 6.87 3.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.235 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.503 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -39.69 -46.18 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.19 -59.67 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.576 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.7 m -31.88 145.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.0 p -155.39 141.0 17.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.614 1.196 . . . . 0.0 109.954 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.83 HG21 ' HB ' ' A' ' 65' ' ' THR . 0.7 OUTLIER -143.2 -163.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.655 ' N ' HG13 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -139.24 170.25 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.406 179.935 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.781 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -92.96 160.46 14.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.662 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.8 p30 -119.49 118.3 30.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 33.02 -88.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.253 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.662 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.1 m-20 -40.68 -45.51 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.767 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 124.33 4.71 7.55 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.066 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -81.51 140.41 34.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.987 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.905 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -82.39 161.12 22.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.456 ' O ' ' HB ' ' A' ' 65' ' ' THR . 79.7 p -158.77 105.86 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.024 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.83 ' HB ' HG21 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.43 170.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.456 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.7 m -85.79 125.14 33.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.817 HD22 HG11 ' A' ' 21' ' ' VAL . 8.6 mp -115.51 141.24 48.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.361 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.649 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 6.7 t -80.47 106.86 12.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.156 HG12 ' CE2' ' A' ' 112' ' ' PHE . 4.5 t -75.99 65.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.649 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -47.35 139.02 6.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.934 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.472 ' HB3' ' HA ' ' A' ' 15' ' ' ASP . 7.0 ttp180 -109.1 -74.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 p -88.18 116.44 26.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.941 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 84' ' ' GLY . 26.2 p90 -156.44 -173.79 4.65 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 74' ' ' GLU . 4.4 tm-20 -113.5 93.79 4.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.533 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -94.87 148.74 19.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.68 ' CZ ' ' HA ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -110.29 138.46 46.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 0.766 . . . . 0.0 110.978 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 9.9 mp -37.62 -64.22 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.68 ' HA ' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 111.031 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.437 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 3.7 ptt85 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.938 ' CZ2' HG11 ' A' ' 40' ' ' VAL . 60.5 m95 -73.36 -103.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 164.52 174.88 34.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.425 1.078 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.9 m -63.96 69.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.366 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 84' ' ' GLY . 9.5 p -109.77 165.0 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.19 112.16 16.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.54 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.2 p -67.36 -29.02 68.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 108.27 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.403 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -47.03 -23.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.451 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.404 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -75.12 -24.72 58.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.424 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.898 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -123.42 10.93 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.607 1.192 . . . . 0.0 109.308 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 43.33 91.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.634 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 1.7 p -70.99 -170.74 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 108.328 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 17.1 pm0 -145.08 149.18 34.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.636 HG21 ' HA ' ' A' ' 69' ' ' VAL . 87.5 t -126.64 114.35 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -132.33 157.74 22.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.409 1.068 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.693 ' CD2' HG12 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -92.08 151.97 20.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.763 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -134.85 146.02 48.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.584 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.584 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 94.92 176.15 38.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.56 42.6 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -109.64 -67.2 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.99 18.29 5.59 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 108' ' ' VAL . 3.5 t -76.25 75.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.02 112.85 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 1.009 HG21 HG11 ' A' ' 69' ' ' VAL . 6.7 mt -111.07 146.57 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.224 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.516 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -87.7 105.53 17.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.156 ' CE2' HG12 ' A' ' 69' ' ' VAL . 17.6 m-85 -96.62 132.57 42.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.342 179.995 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.404 ' CG2' ' HB3' ' A' ' 106' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . . . -104.97 170.62 7.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.765 ' O ' HG13 ' A' ' 21' ' ' VAL . 34.4 p -152.06 156.04 39.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.048 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.3 t -107.75 136.54 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.543 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.06 -59.29 0.81 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.943 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.048 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.9 -161.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.78 . . . . 0.0 111.045 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.0 t -152.22 20.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.946 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.607 ' O ' HD12 ' A' ' 13' ' ' LEU . 51.9 p -171.78 60.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.623 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -40.6 -26.98 0.15 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.63 1.206 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 11' ' ' SER . 1.2 mt 50.61 -82.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.623 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -40.65 117.22 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.525 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 65.7 t0 -53.17 108.74 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.435 1.084 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 90.36 34.58 7.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.74 ' O ' HG23 ' A' ' 69' ' ' VAL . 1.8 m -64.28 85.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.794 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.554 HG22 ' CB ' ' A' ' 68' ' ' THR . 3.3 t -70.8 88.6 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.557 1.161 . . . . 0.0 109.242 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -113.0 170.24 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.383 179.851 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -61.84 141.03 58.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.872 HG22 HG13 ' A' ' 7' ' ' VAL . 66.8 t -142.09 140.8 29.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.1 160.62 39.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.201 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.872 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 92.68 -171.24 33.03 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.778 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 147.0 -144.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 0.777 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.05 0.96 27.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.578 HD11 ' OD1' ' A' ' 60' ' ' ASN . 1.3 tp 43.78 64.15 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.399 0.706 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.708 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 11.7 tp60 -79.78 -99.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 161.26 74.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.75 69.25 1.43 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 m -155.43 160.35 40.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 0.743 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.2 151.76 22.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.803 ' HB3' HD22 ' A' ' 97' ' ' LEU . 1.1 m-85 -151.46 80.02 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.9 OUTLIER -58.97 129.89 44.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.566 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 27.5 t -64.95 160.52 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -150.54 153.01 24.78 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.874 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -148.67 121.18 8.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.33 179.948 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 25.2 m -125.52 178.41 5.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.568 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -146.42 110.74 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -85.73 123.29 30.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 108.027 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.751 HG11 ' CZ2' ' A' ' 83' ' ' TRP . 79.1 t -110.3 -27.97 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.552 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -164.62 -165.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.6 m -60.88 -53.21 60.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 110.416 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.15 27.97 8.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.428 1.08 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.491 HG12 ' HB ' ' A' ' 40' ' ' VAL . 5.3 t -121.18 43.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 39' ' ' TRP . 1.5 tt -94.58 97.61 10.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.562 ' HB1' ' N ' ' A' ' 76' ' ' PHE . . . -87.79 110.45 20.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 m -85.99 162.03 18.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.562 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 15.3 t-20 -115.27 88.93 19.49 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 38.84 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -138.34 7.95 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.508 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -38.86 -42.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.49 -60.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.566 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.8 m -34.24 151.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.407 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 63.4 p -164.56 143.39 7.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.969 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.4 p -148.91 -156.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.728 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.2 m -142.14 168.79 18.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.585 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -78.3 -177.77 5.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.704 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.3 p30 -139.04 134.44 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.704 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.23 81.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.357 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.632 ' N ' ' O ' ' A' ' 58' ' ' ASP . 6.2 t30 147.59 -35.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.585 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 117.44 -4.53 17.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -78.52 131.28 36.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.962 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.872 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -77.56 164.94 24.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.7 p -162.17 113.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.007 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.969 ' HB ' HG21 ' A' ' 55' ' ' VAL . 0.4 OUTLIER 175.47 175.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.561 ' N ' HG23 ' A' ' 65' ' ' THR . 19.2 m -89.7 125.53 35.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.851 ' HB2' HG21 ' A' ' 21' ' ' VAL . 7.7 mp -113.83 136.29 53.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.559 ' O ' HG23 ' A' ' 68' ' ' THR . 7.4 t -82.57 100.54 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.297 -179.88 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.128 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.6 t -70.11 64.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.229 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.539 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -46.51 130.89 11.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 110.234 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.619 ' CG ' ' CG2' ' A' ' 89' ' ' THR . 2.3 ttm180 -90.7 -72.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.1 t -97.9 126.47 43.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.025 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.462 ' CD1' ' ND2' ' A' ' 48' ' ' ASN . 37.5 p90 -163.68 -174.7 3.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 74' ' ' GLU . 4.0 pt-20 -96.61 118.04 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.495 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -113.57 153.86 17.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.562 ' N ' ' HB1' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -145.47 142.02 28.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.78 . . . . 0.0 110.995 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.615 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 11.2 mp -57.23 -61.95 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.615 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.4 t80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 8.3 ptt180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.751 ' CZ2' HG11 ' A' ' 40' ' ' VAL . 94.2 m95 -93.85 -74.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 107.999 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.592 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 84.1 142.23 5.22 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 20.57 80.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 110.353 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.02 153.65 10.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.403 ' O ' ' HB ' ' A' ' 90' ' ' THR . 2.5 p30 -78.43 112.75 15.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . 0.6 OUTLIER -64.37 -25.74 68.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 108.341 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.619 ' CG2' ' CG ' ' A' ' 71' ' ' ARG . 4.7 p -50.57 -21.58 1.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.387 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -75.52 -23.27 56.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.376 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -130.89 18.26 5.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.476 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 33.82 80.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.613 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 1.7 p -54.49 -174.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 108.361 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.457 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 18.7 pm0 -144.59 144.16 31.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.032 ' O ' HG12 ' A' ' 108' ' ' VAL . 8.2 p -120.62 126.06 74.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.12 -168.86 11.39 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -126.13 149.15 49.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.333 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -141.53 154.61 45.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.419 ' ND2' ' H ' ' A' ' 104' ' ' GLY . 17.6 t30 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.419 ' H ' ' ND2' ' A' ' 103' ' ' ASN . . . 93.03 156.72 33.0 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.437 1.086 . . . . 0.0 111.017 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -75.04 143.78 29.33 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.7 mt-10 161.17 72.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.411 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -104.55 175.34 22.53 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 1.032 HG12 ' O ' ' A' ' 95' ' ' VAL . 7.2 p -98.39 120.31 47.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.519 0.776 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.4 114.43 3.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.674 HG21 HG11 ' A' ' 69' ' ' VAL . 25.3 mt -117.55 154.8 19.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.246 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.91 102.48 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.015 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.128 ' CE2' HG12 ' A' ' 69' ' ' VAL . 40.2 m-85 -93.06 162.7 13.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.565 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 19.0 t30 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.153 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 97' ' ' LEU . . . -104.14 150.82 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.904 ' HA ' HG21 ' A' ' 108' ' ' VAL . 5.6 p -148.4 158.88 44.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.803 ' CG2' HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -105.56 127.15 60.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.419 1.075 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.644 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -34.08 -62.5 0.37 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.806 ' HG2' HG21 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.05 -162.77 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.796 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.1 t 159.42 36.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.649 ' O ' HD23 ' A' ' 13' ' ' LEU . 6.6 t -166.95 138.79 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.94 25.85 46.57 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.575 1.172 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.727 HD12 HG21 ' A' ' 110' ' ' ILE . 6.1 mt -79.33 -95.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.76 . . . . 0.0 109.306 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.541 ' CB ' ' HB2' ' A' ' 71' ' ' ARG . 17.3 t 48.86 -171.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.941 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.501 ' N ' ' OG ' ' A' ' 14' ' ' SER . 20.9 t0 52.07 33.21 11.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 70' ' ' ARG . . . 57.31 44.93 93.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 111.042 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.937 HG23 HG13 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -54.5 88.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 110.42 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.4 t -72.18 76.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.937 HG13 HG23 ' A' ' 17' ' ' THR . 2.6 m -87.83 -170.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.374 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -92.73 138.76 31.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -126.66 142.78 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.52 153.82 45.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.943 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 100.61 -173.82 25.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.764 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 143.36 -159.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.46 -5.13 4.53 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.513 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 45.9 66.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.63 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 4.6 tp60 -88.57 -100.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 166.78 78.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.19 66.01 1.99 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -142.89 169.4 17.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.4 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.427 ' N ' HG23 ' A' ' 30' ' ' THR . . . -83.37 148.35 27.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.779 ' HB3' HD21 ' A' ' 97' ' ' LEU . 4.9 m-85 -145.13 76.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.49 141.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.791 HG13 ' CD1' ' A' ' 67' ' ' LEU . 2.3 t -79.04 150.53 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.534 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -123.9 -169.5 13.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 2.1 tp60 158.0 108.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 110.305 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.537 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 36.0 m -121.38 -179.45 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 108.284 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.954 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -143.84 97.69 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 1.033 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 2.2 t90 -61.28 125.12 22.62 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 41' ' ' ASP . 57.6 t -110.7 -104.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.468 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.5 t0 -60.17 -160.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 m -80.61 -37.58 30.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.32 27.44 6.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.006 HG13 HD13 ' A' ' 77' ' ' LEU . 39.7 t -125.86 127.76 71.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.786 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.721 HD12 ' CG ' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -136.35 99.53 4.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.809 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -69.81 89.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.537 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -74.14 158.68 33.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 108.263 -179.944 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 36.4 t30 -117.14 77.7 9.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.06 35.03 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -134.11 6.62 3.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -47.88 -47.54 31.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 10.3 m-85 71.93 -40.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.547 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.1 m -42.21 165.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 110.028 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.2 p -160.59 147.93 15.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.953 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.834 ' HB ' HG21 ' A' ' 65' ' ' THR . 1.4 p -135.31 164.9 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.479 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.7 m -127.66 152.8 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -67.09 -179.03 0.87 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.718 ' O ' ' N ' ' A' ' 60' ' ' ASN . 56.1 p30 -141.5 134.77 29.44 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.679 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -12.37 79.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.718 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.7 t30 151.3 -36.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.513 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 120.58 -13.05 10.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.6 OUTLIER -73.25 135.67 44.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.989 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.943 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -82.35 157.36 23.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.49 ' O ' ' HB ' ' A' ' 65' ' ' THR . 97.3 p -160.55 119.11 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.152 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.834 HG21 ' HB ' ' A' ' 55' ' ' VAL . 11.3 t -178.66 -138.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.658 ' N ' HG23 ' A' ' 65' ' ' THR . 41.5 m -138.7 139.9 38.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.791 ' CD1' HG13 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -118.78 137.01 53.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.729 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -87.11 92.5 9.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.01 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.9 t -68.14 66.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.729 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -61.79 131.78 50.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.568 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -94.58 -76.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.79 103.96 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.001 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.653 ' CE1' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -152.23 -179.72 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.461 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 1.2 pm0 -110.31 98.21 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.79 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -84.62 158.32 33.68 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.437 1.085 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 4.2 m-85 -119.91 137.26 54.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.006 HD13 HG13 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -36.33 -59.47 0.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.622 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.7 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.559 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 5.7 ppt_? . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.809 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 16.9 m95 -61.74 -90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 110.44 151.56 12.94 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.771 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 16.07 77.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.575 0.809 . . . . 0.0 110.386 179.913 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.3 p -128.17 141.73 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.549 ' HB3' HG22 ' A' ' 89' ' ' THR . 0.4 OUTLIER -83.36 103.68 12.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.653 ' SG ' ' CE1' ' A' ' 73' ' ' PHE . 2.1 m -47.76 -40.72 21.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.549 HG22 ' HB3' ' A' ' 87' ' ' ASP . 6.6 t -51.71 -21.45 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 37.1 m -84.22 -19.0 34.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 1.033 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -134.53 25.84 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 28.72 86.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.954 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -52.12 -177.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 108.252 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.499 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 19.4 pm0 -156.08 139.1 15.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.752 HG13 HD12 ' A' ' 67' ' ' LEU . 1.9 t -105.92 127.81 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.55 171.61 23.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.852 HD13 ' N ' ' A' ' 98' ' ' SER . 1.1 tm? -90.51 154.47 19.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.852 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -134.21 99.94 4.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.234 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 99' ' ' ASP . 1.8 p30 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.02 -156.63 18.24 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.6 4.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.582 1.832 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 170.48 40.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.43 ' HA3' ' CG ' ' A' ' 94' ' ' GLN . . . -81.78 164.92 45.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.904 HG21 ' HA ' ' A' ' 6' ' ' THR . 42.4 t -92.03 108.12 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.92 100.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.799 HG21 HG11 ' A' ' 69' ' ' VAL . 4.2 mt -106.93 150.9 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.509 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -89.51 108.38 19.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.035 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.01 ' CE2' HG12 ' A' ' 69' ' ' VAL . 8.9 m-85 -95.67 127.91 42.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.99 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 1.045 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -98.5 175.36 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.783 ' O ' HG13 ' A' ' 21' ' ' VAL . 22.5 p -152.26 153.71 34.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 110.419 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.837 HG22 HG22 ' A' ' 21' ' ' VAL . 43.8 t -110.44 122.56 65.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.764 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -33.16 -69.47 0.14 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.826 ' HB2' HD21 ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.02 169.06 23.44 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.774 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.428 ' HA ' HG12 ' A' ' 110' ' ' ILE . 1.5 p -155.18 19.7 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.453 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 27.2 p 174.38 150.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.495 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 73.89 35.39 54.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.926 HD12 HG11 ' A' ' 69' ' ' VAL . 5.5 mt -99.16 -151.06 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -160.03 164.37 33.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' CB ' ' HG3' ' A' ' 71' ' ' ARG . 22.0 t0 -63.16 92.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.421 ' H ' ' HA ' ' A' ' 70' ' ' ARG . . . 109.76 32.03 3.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.709 HG21 ' HB3' ' A' ' 13' ' ' LEU . 1.1 m -77.36 78.3 3.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.786 . . . . 0.0 110.374 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.655 HG12 ' HB3' ' A' ' 66' ' ' SER . 10.8 t -64.81 81.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.805 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -94.69 166.3 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -66.48 142.89 57.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.921 HG11 HD22 ' A' ' 67' ' ' LEU . 75.7 t -140.37 144.09 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -146.94 154.04 40.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.775 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 104.82 176.17 24.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 154.37 -160.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 0.725 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.09 -2.59 5.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.569 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.1 tp 47.41 68.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.664 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.1 tm0? -98.33 -86.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 164.53 84.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.645 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 71.72 6.9 64.1 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.427 ' OG1' ' OE1' ' A' ' 27' ' ' GLN . 98.3 m -65.42 167.85 8.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.407 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.523 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -91.36 145.03 24.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.809 ' HD2' ' HB2' ' A' ' 63' ' ' ALA . 14.8 m-85 -142.75 77.96 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -52.1 125.27 15.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.765 HG22 HD21 ' A' ' 97' ' ' LEU . 63.5 t -68.3 152.66 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.573 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -133.51 -174.6 13.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.661 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -178.48 113.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.52 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 4.0 m -122.47 168.86 11.6 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.484 1.115 . . . . 0.0 108.295 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -139.84 110.31 6.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.488 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -74.98 116.03 15.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 107.974 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 t -102.42 -26.99 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.476 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 2.1 t70 -172.45 54.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.639 HG22 ' N ' ' A' ' 43' ' ' GLY . 1.1 m 63.12 -85.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.639 ' N ' HG22 ' A' ' 42' ' ' THR . . . -72.52 -2.61 55.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.386 1.054 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 3.7 t -111.67 46.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -94.85 108.85 20.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.734 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -77.56 103.19 7.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.52 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -81.44 145.0 30.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 108.307 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.718 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 40.5 t30 -117.5 78.48 11.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.426 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -75.03 7.3 2.94 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' C ' ' N ' ' A' ' 52' ' ' PHE . . . -96.34 -2.14 46.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.61 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -38.39 -31.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.948 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.61 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 7.7 m-85 65.24 -52.11 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -36.5 149.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.041 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 p -153.76 139.31 17.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.919 HG23 ' HB ' ' A' ' 65' ' ' THR . 7.7 p -122.85 153.54 27.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 57' ' ' ALA . 1.6 m -108.56 150.22 27.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 110.484 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.645 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -73.1 174.71 7.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.0 p30 -135.17 121.6 20.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.525 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.19 -88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.241 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.658 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.7 m-20 -38.34 -46.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.591 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 129.37 -1.71 6.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 49.4 m -77.54 141.71 39.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.787 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.809 ' HB2' ' HD2' ' A' ' 32' ' ' TYR . . . -79.76 159.6 26.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.428 ' O ' ' HB ' ' A' ' 65' ' ' THR . 79.1 p -159.05 110.43 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.919 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.96 174.55 0.68 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.655 ' HB3' HG12 ' A' ' 18' ' ' VAL . 5.6 m -92.27 131.35 37.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.963 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.921 HD22 HG11 ' A' ' 21' ' ' VAL . 5.8 mp -113.56 134.49 54.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.834 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 1.1 t -75.82 97.82 4.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.926 HG11 HD12 ' A' ' 13' ' ' LEU . 23.2 t -70.53 60.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.834 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -65.13 143.79 57.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.669 ' HB3' ' CG ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -111.69 -72.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 96.1 p -66.11 82.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CE1' ' HB2' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -137.17 150.53 47.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.419 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 16.1 pt-20 -77.75 116.57 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.582 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -113.73 158.36 14.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.571 1.169 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 4.9 m-85 -116.17 136.46 52.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.621 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 11.2 mp -39.15 -61.99 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.621 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.0 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.734 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 67.9 m95 -89.93 -75.83 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 107.955 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 112.93 139.17 7.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.749 ' O ' HG23 ' A' ' 85' ' ' THR . 5.2 t 31.26 52.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.9 t -75.65 109.36 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.553 ' O ' ' N ' ' A' ' 90' ' ' THR . 31.1 m-20 -69.39 95.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 1.296 ' SG ' ' SG ' ' A' ' 93' ' ' CYS . 62.0 m -43.21 -48.59 6.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 108.276 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 112' ' ' PHE . 2.4 t -49.32 -28.78 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.473 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.553 ' N ' ' O ' ' A' ' 87' ' ' ASP . 61.9 m -69.37 -28.24 66.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.596 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -138.74 36.86 2.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.596 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 23.33 65.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 1.296 ' SG ' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -53.65 -175.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 108.305 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.539 HE21 ' N ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -138.1 161.32 37.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.661 HG23 ' HG2' ' A' ' 36' ' ' GLN . 4.7 p -132.95 110.86 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.278 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -124.48 173.24 16.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.045 HD12 ' HB2' ' A' ' 5' ' ' ALA . 12.6 mt -96.1 153.57 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -132.43 121.21 23.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.519 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 1.1 p30 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.519 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 69.99 -176.77 32.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.148 . . . . 0.0 110.961 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -166.26 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.8 -62.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 129.45 39.58 0.29 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.749 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.3 t -100.09 72.64 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 109.346 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.79 109.95 3.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.777 HG21 HD12 ' A' ' 13' ' ' LEU . 28.9 mt -110.42 143.87 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.453 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 1.1 m -93.57 108.7 20.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.823 ' CE2' HG12 ' A' ' 69' ' ' VAL . 15.5 m-85 -90.25 124.02 34.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.977 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . -104.39 163.93 12.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.914 ' O ' HG13 ' A' ' 21' ' ' VAL . 18.2 p -149.45 155.12 39.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.975 HG13 HG22 ' A' ' 21' ' ' VAL . 2.3 t -96.71 135.9 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.54 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.6 -58.7 0.99 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.932 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.01 177.78 8.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.558 1.82 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.708 ' C ' HG23 ' A' ' 110' ' ' ILE . 24.0 p -156.03 16.88 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.44 ' N ' HG23 ' A' ' 110' ' ' ILE . 12.3 p 167.67 160.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.14 38.01 91.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.864 HD12 HG11 ' A' ' 69' ' ' VAL . 5.1 mt -91.65 -147.64 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.461 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -158.96 163.7 36.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.96 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.512 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 35.2 t0 -58.29 95.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.538 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 93.21 38.72 5.3 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.619 ' O ' HG22 ' A' ' 17' ' ' THR . 1.0 OUTLIER -67.85 84.26 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 0.737 . . . . 0.0 110.441 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 16' ' ' GLY . 5.7 t -73.8 93.38 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.236 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.672 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -115.9 178.27 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -75.95 142.5 41.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.975 HG22 HG13 ' A' ' 7' ' ' VAL . 53.7 t -141.68 142.86 28.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.93 163.01 34.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.82 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 101.05 175.82 29.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 154.28 -155.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.1 -0.68 7.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.4 tp 47.31 62.92 2.18 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.483 ' CB ' ' OH ' ' A' ' 32' ' ' TYR . 7.5 tt0 -94.98 -99.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.6 90.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.35 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.577 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 55.8 15.68 10.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 1.7 m -70.95 169.57 14.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -87.61 142.9 27.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.885 ' HB3' HD23 ' A' ' 97' ' ' LEU . 11.5 m-30 -142.76 77.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -52.63 130.37 32.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.592 ' CG2' HD11 ' A' ' 67' ' ' LEU . 41.5 t -60.28 154.35 4.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.532 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -113.13 -81.09 1.04 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.137 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.542 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 5.4 tp60 72.88 99.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.494 0.761 . . . . 0.0 110.342 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.506 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 35.7 m -121.72 -177.28 3.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 108.297 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.606 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . . . -162.86 135.97 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.716 ' CG ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.61 170.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.66 HG22 ' CD1' ' A' ' 83' ' ' TRP . 69.5 t -139.4 -103.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.649 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -86.14 -171.91 3.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.0 m -72.84 89.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.452 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.81 -4.05 42.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.558 ' CG1' ' CD1' ' A' ' 77' ' ' LEU . 12.4 t -107.64 129.78 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.716 HD12 ' CG ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -124.86 148.46 48.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.616 ' HB2' HG21 ' A' ' 40' ' ' VAL . . . -125.47 126.9 45.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.506 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.6 m -90.6 170.01 10.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 108.342 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 14.1 t30 -116.9 78.07 9.12 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.386 1.054 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.08 35.23 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.497 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -128.76 -0.22 5.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 1.2 p30 -54.34 -59.51 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.544 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER 78.51 -24.08 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.593 1.183 . . . . 0.0 110.991 179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.585 ' HB3' HG21 ' A' ' 34' ' ' VAL . 1.9 m -53.54 158.18 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 110.073 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 22.5 t -155.31 143.1 19.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.043 HG23 ' HB ' ' A' ' 65' ' ' THR . 8.6 p -129.63 149.08 33.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.4 m -105.41 148.69 26.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.577 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -75.4 174.33 9.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.6 p30 -135.12 121.37 20.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.533 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.98 -89.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.075 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.642 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.7 m-20 -36.56 -46.49 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.524 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.89 0.46 6.04 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -78.36 137.14 37.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.049 179.925 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.82 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -76.22 158.37 31.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.5 p -157.96 112.61 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 1.043 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.22 174.95 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 75.1 m -92.04 127.52 37.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.793 ' HB2' HG21 ' A' ' 21' ' ' VAL . 2.3 mp -111.35 136.84 49.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.7 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -84.69 89.44 7.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.618 1.199 . . . . 0.0 110.356 -179.921 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.127 HG12 ' CE2' ' A' ' 112' ' ' PHE . 4.7 t -64.15 67.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.7 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -56.09 137.71 50.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.427 1.079 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.536 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.2 OUTLIER -97.19 -73.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.212 -179.908 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.491 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 4.9 t -87.25 131.54 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.966 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 85' ' ' THR . 17.3 p90 -179.66 -165.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.625 ' HA ' ' H ' ' A' ' 85' ' ' THR . 1.2 pm0 -115.83 133.96 55.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.18 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.02 -175.14 15.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 1.3 m-85 -138.33 140.22 39.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 0.731 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.593 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 4.3 mm? -48.54 -60.95 2.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.593 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.4 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.66 ' CD1' HG22 ' A' ' 40' ' ' VAL . 42.5 t-105 -167.67 -175.56 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 88.91 -103.99 3.04 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.748 ' O ' HG23 ' A' ' 85' ' ' THR . 0.8 OUTLIER 35.47 34.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.51 0.771 . . . . 0.0 110.456 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 72' ' ' SER . 0.3 OUTLIER -160.94 -177.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.498 ' HB3' HG22 ' A' ' 89' ' ' THR . 90.3 m-20 -78.05 97.51 5.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.536 ' SG ' ' O ' ' A' ' 71' ' ' ARG . 3.4 p -43.99 -28.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 108.294 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.534 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 1.5 t -49.92 -24.55 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.23 -24.4 63.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.53 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -115.74 38.29 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.53 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 30.41 58.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.696 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -44.0 165.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 108.264 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 12.5 pm0 -141.08 153.8 45.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.532 ' CG1' HD23 ' A' ' 67' ' ' LEU . 53.7 t -126.5 126.03 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -152.68 173.22 31.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.034 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -87.58 143.55 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 1.034 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -130.92 130.56 43.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.992 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.491 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 1.8 p30 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.491 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 81.26 -153.95 34.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 118.75 5.39 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 106' ' ' GLU . 5.4 mp0 -78.5 -99.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 94' ' ' GLN . . . 160.43 -157.11 28.48 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.8 HG12 ' O ' ' A' ' 108' ' ' VAL . 2.5 t 68.72 75.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.55 110.88 9.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.829 HG21 HD11 ' A' ' 13' ' ' LEU . 35.3 mt -114.03 147.12 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.9 OUTLIER -87.09 118.34 26.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.929 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.127 ' CE2' HG12 ' A' ' 69' ' ' VAL . 2.3 m-85 -97.42 17.77 16.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 39.4 t30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 179.983 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.407 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -105.39 148.49 27.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.465 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 5.5 p -136.07 156.56 48.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.804 HG22 ' HD2' ' A' ' 9' ' ' PRO . 2.7 p -114.64 146.34 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.465 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -42.45 -54.9 7.45 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.138 . . . . 0.0 110.376 179.941 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.88 ' CG ' HG21 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.94 -159.59 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.064 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 p -173.94 -24.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.506 ' O ' HD23 ' A' ' 13' ' ' LEU . 74.4 p -164.9 169.8 16.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 61.97 30.26 74.91 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.83 HD12 HG11 ' A' ' 69' ' ' VAL . 6.2 mt -88.97 -146.16 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 0.785 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.13 158.01 39.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.537 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 7.6 p-10 -57.04 100.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.46 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 92.0 36.76 6.23 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.705 ' O ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -69.66 84.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.36 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 16' ' ' GLY . 3.6 t -70.08 99.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.88 HG21 ' CG ' ' A' ' 9' ' ' PRO . 31.4 m -124.67 179.23 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 65' ' ' THR . 10.4 mttt -72.53 150.35 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.934 HG11 ' HG ' ' A' ' 67' ' ' LEU . 3.8 p -140.03 151.32 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -152.12 144.27 23.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.756 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 102.45 178.36 27.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 154.59 -157.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.37 0.39 3.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.609 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 4.0 tp 48.61 62.92 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.604 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 39.8 tp60 -83.29 -98.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.178 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 170.04 92.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.51 35.04 6.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.601 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 1.1 m -106.99 166.33 10.69 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.543 0.79 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.465 ' N ' ' CG2' ' A' ' 30' ' ' THR . . . -70.65 146.45 49.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.617 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 2.3 m-85 -142.11 78.91 1.65 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.42 121.53 8.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.748 ' CG1' HD13 ' A' ' 67' ' ' LEU . 59.3 t -59.74 159.36 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.41 ' HA2' ' CG ' ' A' ' 51' ' ' ASP . . . -151.58 138.47 6.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.845 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -128.65 117.7 21.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 0.783 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 4.9 m -128.39 172.47 11.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.269 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.821 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -145.78 141.87 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.56 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -91.99 134.08 35.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 108.017 -179.96 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.671 ' HB ' HG12 ' A' ' 44' ' ' VAL . 59.0 t -99.51 -113.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.597 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -150.3 137.94 19.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 1.083 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.9 OUTLIER 68.66 84.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.4 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' THR . . . 32.57 37.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.083 HG23 ' O ' ' A' ' 42' ' ' THR . 55.2 t -115.41 121.0 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -141.46 120.3 12.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.25 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -103.9 129.62 51.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 1.1 m -97.74 161.36 13.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.612 ' OD1' ' CE1' ' A' ' 73' ' ' PHE . 3.6 t-20 -114.51 89.62 18.8 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -75.01 38.97 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.553 1.818 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.608 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -129.98 2.32 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -50.25 -53.45 28.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 16.3 m-85 68.37 -51.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.675 ' HB3' HG21 ' A' ' 34' ' ' VAL . 2.7 m -32.71 148.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 0.0 109.945 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.7 p -150.98 142.53 23.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.956 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.681 HG21 ' HB1' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -135.92 167.42 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.565 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.8 m -111.98 156.04 22.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.601 ' HB3' ' H ' ' A' ' 30' ' ' THR . . . -86.79 171.12 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.645 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.4 p30 -129.66 121.55 27.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.561 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 27.59 -89.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.645 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.4 m-20 -34.84 -47.52 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.609 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.39 2.94 6.83 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.5 m -86.06 142.88 28.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.956 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.681 ' HB1' HG21 ' A' ' 55' ' ' VAL . . . -76.07 158.66 31.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.503 ' O ' ' HB ' ' A' ' 65' ' ' THR . 53.4 p -161.13 110.01 1.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.558 HG23 ' N ' ' A' ' 66' ' ' SER . 5.2 t 179.16 -131.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.405 -179.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.558 ' N ' HG23 ' A' ' 65' ' ' THR . 53.8 p -140.66 126.89 19.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.934 ' HG ' HG11 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -112.01 152.61 27.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.907 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.8 t -91.48 95.73 10.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.006 HG11 HG21 ' A' ' 110' ' ' ILE . 21.2 t -66.27 65.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.907 ' NE ' HG23 ' A' ' 68' ' ' THR . 5.5 mtm180 -61.17 131.54 50.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.537 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 61.5 ttp180 -89.91 -76.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 86' ' ' VAL . 88.5 p -65.5 124.62 22.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.612 ' CE1' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -150.53 161.66 42.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.539 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -99.55 64.45 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -39.3 159.7 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.438 1.086 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 51.4 t80 -140.59 139.18 34.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.697 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 4.0 mm? -38.14 -62.94 0.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.697 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.931 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.41 ' HA ' ' CD1' ' A' ' 76' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.454 ' CD1' ' HB ' ' A' ' 85' ' ' THR . 13.3 t-105 -110.48 -37.57 5.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 107.997 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.539 ' HA2' ' HA ' ' A' ' 74' ' ' GLU . . . 52.45 85.12 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 86' ' ' VAL . 5.9 t -95.06 12.93 26.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 0.761 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.761 HG13 ' N ' ' A' ' 87' ' ' ASP . 6.2 p 26.58 -139.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.23 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.761 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -37.69 93.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.939 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 93' ' ' CYS . 4.2 m -43.13 -33.12 0.82 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 108.336 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.479 HG22 ' CB ' ' A' ' 87' ' ' ASP . 9.7 t -49.83 -24.21 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.421 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.2 m -74.1 -25.92 60.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -129.24 19.04 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 34.22 51.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -52.19 -175.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 108.294 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.438 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 2.9 pm0 -137.68 159.37 42.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.845 HG23 ' HG2' ' A' ' 36' ' ' GLN . 10.0 p -133.41 98.55 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.409 ' HA3' ' HA2' ' A' ' 107' ' ' GLY . . . -118.41 -167.02 13.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.693 ' CD1' HD11 ' A' ' 67' ' ' LEU . 2.5 mp -103.94 161.67 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.1 t -157.0 120.48 4.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.617 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.4 t30 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.93 -88.01 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.4 Cg_endo -74.93 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.546 1.814 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.555 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 1.5 tp10 90.72 34.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.409 ' HA2' ' HA3' ' A' ' 96' ' ' GLY . . . -75.6 -175.46 37.79 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 110' ' ' ILE . 6.3 p -102.03 126.23 56.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 0.809 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.62 109.58 4.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 1.006 HG21 HG11 ' A' ' 69' ' ' VAL . 4.8 mt -107.64 139.45 29.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -99.68 97.52 8.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.029 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.916 ' CE2' HG12 ' A' ' 69' ' ' VAL . 6.1 m-85 -75.14 127.22 32.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 7.7 t-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.701 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -113.48 164.29 13.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.435 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 9.1 p -149.53 156.1 41.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.816 ' CG1' HD11 ' A' ' 110' ' ' ILE . 3.5 p -119.14 146.1 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.357 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.452 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.94 -54.67 1.37 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.07 . . . . 0.0 110.361 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.829 ' CG ' HG21 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.96 -157.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.407 ' HA ' HD13 ' A' ' 110' ' ' ILE . 2.9 t 175.65 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.519 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 92.1 p -155.33 151.73 28.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 76.33 22.7 72.68 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.971 HD22 HG11 ' A' ' 69' ' ' VAL . 2.1 mp -75.5 -152.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 0.809 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.42 159.24 35.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.54 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 17.5 t0 -55.65 96.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 96.86 37.28 4.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.885 HG21 HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -69.94 83.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 110.333 -179.889 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.54 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 5.7 t -71.13 114.95 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.829 HG21 ' CG ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -143.72 -178.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.948 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.88 146.31 33.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.777 HG12 ' O ' ' A' ' 65' ' ' THR . 0.9 OUTLIER -139.44 146.13 26.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.387 1.055 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -148.02 155.36 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.76 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 87.9 -176.54 45.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.793 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . 154.14 -137.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 0.737 . . . . 0.0 109.258 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.99 3.39 51.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.514 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 5.9 tp 46.72 67.5 0.77 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.561 0.801 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.69 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 3.1 tp-100 -83.54 -97.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 163.81 90.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.31 49.02 10.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.683 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.8 OUTLIER -127.9 152.67 47.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.467 0.745 . . . . 0.0 110.336 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.88 151.76 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.751 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -147.38 78.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 111.01 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' SER . 9.5 t0 -55.43 112.72 1.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.972 HG21 HD21 ' A' ' 67' ' ' LEU . 33.6 t -56.33 156.93 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' HA2' ' OD2' ' A' ' 51' ' ' ASP . . . -152.82 131.75 3.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.837 ' CD ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -119.29 112.92 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.524 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 12.2 m -130.57 174.31 10.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 108.353 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.945 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -133.89 88.82 2.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.686 ' HB3' HD12 ' A' ' 45' ' ' LEU . 4.2 p-90 -78.2 102.03 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.014 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.717 HG12 ' N ' ' A' ' 41' ' ' ASP . 55.0 t -93.57 -101.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.717 ' N ' HG12 ' A' ' 40' ' ' VAL . 5.0 t0 -85.4 45.48 1.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.525 HG22 ' N ' ' A' ' 43' ' ' GLY . 1.0 OUTLIER 64.76 -76.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.525 ' N ' HG22 ' A' ' 42' ' ' THR . . . -63.55 -11.14 40.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.559 HG12 ' HE1' ' A' ' 83' ' ' TRP . 3.4 t -107.32 58.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -99.19 97.72 8.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.932 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -79.13 95.8 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.596 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -83.85 140.38 32.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 108.258 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.845 HD21 ' HB3' ' A' ' 50' ' ' ALA . 7.8 t30 -110.88 93.34 16.93 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.1 Cg_endo -75.02 37.12 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.845 ' HB3' HD21 ' A' ' 48' ' ' ASN . . . -126.37 -1.96 6.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.483 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -43.34 -53.83 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.368 179.944 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.48 -52.14 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 52' ' ' PHE . 11.9 m -30.48 147.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 p -147.62 138.67 23.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.69 HG22 ' H ' ' A' ' 56' ' ' THR . 4.3 p -134.49 179.44 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.69 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.2 m -130.36 150.86 51.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.38 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.751 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -80.83 164.2 22.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.376 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 60' ' ' ASN . 5.2 p30 -125.79 118.89 26.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.81 -89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.642 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.6 m-20 -38.31 -43.71 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.618 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 122.46 6.39 8.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.8 m -83.63 144.4 29.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -77.15 169.92 17.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 65' ' ' THR . 33.9 p -171.02 102.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.777 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.5 OUTLIER 177.69 171.08 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 80.8 p -86.71 124.61 33.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.035 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.972 HD21 HG21 ' A' ' 34' ' ' VAL . 9.4 mt -112.17 162.84 15.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.923 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.7 t -100.24 94.95 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.437 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.971 HG11 HD22 ' A' ' 13' ' ' LEU . 22.1 t -67.65 69.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.923 ' NE ' HG23 ' A' ' 68' ' ' THR . 1.5 mtm180 -68.19 139.3 56.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.54 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 31.7 ttp180 -102.33 -70.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.77 98.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.64 ' CE1' ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -135.65 173.9 11.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.434 ' HB3' ' N ' ' A' ' 85' ' ' THR . 1.9 pt-20 -129.27 72.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.489 ' CA ' ' HB1' ' A' ' 46' ' ' ALA . . . -71.03 151.72 49.29 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.621 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 13.9 p90 -99.52 134.59 42.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.601 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 31.1 mt -37.71 -61.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.601 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.47 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.932 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 47.7 m95 -50.95 -97.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 108.056 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 151.13 173.76 21.39 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 85' ' ' THR . 4.1 m -60.55 70.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.438 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.569 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.4 OUTLIER -109.21 164.98 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 90' ' ' THR . 1.3 p30 -70.91 106.75 3.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' ALA . 1.2 m -45.26 -39.42 6.47 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.46 1.1 . . . . 0.0 108.232 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 113' ' ' ASN . 0.5 OUTLIER -50.64 -29.87 12.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 87' ' ' ASP . 8.9 m -74.77 -22.12 58.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -120.76 14.69 11.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 37.05 61.38 0.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.945 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 77.8 m -54.4 -174.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.253 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.482 ' NE2' ' CD1' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -150.06 146.46 26.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.837 HG22 ' CD ' ' A' ' 36' ' ' GLN . 3.8 t -123.23 112.47 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.471 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -136.54 -175.91 14.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.443 1.09 . . . . 0.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.793 HD23 ' HB2' ' A' ' 24' ' ' ALA . 1.1 mm? -100.53 144.69 29.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 0.733 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -128.41 162.74 26.43 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 53.81 82.21 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.5 Cg_endo -74.98 116.89 4.72 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.561 1.822 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 0.3 OUTLIER 158.83 -172.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 179.928 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.471 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . 165.64 -95.31 0.12 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 95' ' ' VAL . 9.9 p -156.84 124.02 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 0.799 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.2 99.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.97 HG23 HD13 ' A' ' 13' ' ' LEU . 6.1 mm -88.24 143.62 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.371 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.799 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -120.65 87.96 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.911 -179.921 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.83 ' CE2' HG12 ' A' ' 69' ' ' VAL . 10.0 m-85 -70.55 4.7 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 111' ' ' SER . 6.4 t30 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.88 ' CB ' HD23 ' A' ' 97' ' ' LEU . . . -99.61 166.07 11.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.968 ' O ' HG13 ' A' ' 21' ' ' VAL . 79.0 p -154.25 152.37 30.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.014 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.8 t -100.93 136.56 31.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.581 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -37.17 -60.4 0.83 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.014 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.04 -161.58 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.466 1.772 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.456 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 1.1 m 166.54 24.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.997 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.591 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 11.9 t 170.89 155.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.42 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 58.49 38.28 90.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.446 1.091 . . . . 0.0 111.031 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.922 HD13 HG21 ' A' ' 17' ' ' THR . 6.8 mt -97.31 -146.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.97 154.35 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.504 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 36.5 t0 -53.73 97.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.479 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 102.05 37.49 3.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.922 HG21 HD13 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -71.61 86.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 110.393 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 11.4 t -77.63 102.65 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.672 HG21 ' CG ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -128.77 177.61 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -75.35 144.18 42.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.968 HG13 ' O ' ' A' ' 6' ' ' THR . 94.8 t -142.44 143.38 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.14 155.59 46.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.769 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 104.05 177.26 25.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.102 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 155.1 -154.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.33 -1.13 6.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.478 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 5.4 tp 49.38 65.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.683 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 7.1 tp60 -90.59 -91.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 163.49 100.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 44.2 34.58 3.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.67 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 57.6 m -107.73 161.51 14.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.424 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.25 148.19 52.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.602 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 4.6 m-85 -150.1 78.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -53.59 138.84 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.234 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.747 HG21 ' HB3' ' A' ' 53' ' ' SER . 79.1 t -64.19 163.13 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.604 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -112.12 -92.85 2.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.445 1.091 . . . . 0.0 111.036 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.82 ' NE2' HG22 ' A' ' 95' ' ' VAL . 6.5 tp60 77.34 99.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 110.358 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.534 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 62.4 m -125.3 -176.14 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -153.92 100.44 2.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.457 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 52.5 t90 -72.68 139.25 47.16 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.649 HG12 ' OD2' ' A' ' 41' ' ' ASP . 91.9 t -122.91 -104.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.649 ' OD2' HG12 ' A' ' 40' ' ' VAL . 1.1 m-20 -54.5 -169.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -78.24 -36.44 47.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.346 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.9 29.22 6.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.601 HG11 ' HZ2' ' A' ' 83' ' ' TRP . 40.5 t -130.08 125.71 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 tt -136.04 104.15 5.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.075 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.616 ' HB1' ' C ' ' A' ' 75' ' ' GLY . . . -81.97 94.72 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.534 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -83.2 160.08 21.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.348 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.679 ' CG ' ' CD2' ' A' ' 73' ' ' PHE . 2.1 t30 -118.66 75.74 13.11 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.453 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.98 22.73 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.543 1.812 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.496 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -123.29 3.78 9.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 4.8 p-10 -37.55 -44.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.538 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER 77.73 -22.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.747 ' HB3' HG21 ' A' ' 34' ' ' VAL . 4.0 m -69.86 154.7 41.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.957 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 57.5 p -156.69 151.87 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.959 ' CG1' HD11 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -138.36 166.55 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.523 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.1 m -110.79 149.73 30.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.429 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.67 ' HB3' ' H ' ' A' ' 30' ' ' THR . . . -81.52 160.19 23.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.6 p30 -121.13 119.93 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.1 -91.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.605 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.3 t-20 -36.11 -44.35 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.603 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 122.98 8.5 6.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 3.3 m -84.22 130.96 34.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -66.17 157.22 31.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.372 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.421 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 5.2 p -156.59 108.3 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.972 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.458 ' CG2' ' HB ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER 179.02 173.4 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 49.0 m -87.79 118.75 27.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 0.0 110.063 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.803 ' HB2' HG21 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -96.91 147.8 23.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.744 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 1.1 t -91.33 86.13 6.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.969 HG11 HG21 ' A' ' 110' ' ' ILE . 19.3 t -65.63 69.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.744 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -72.82 135.71 45.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.357 179.926 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.575 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 11.1 ttm180 -85.98 -68.98 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.592 1.183 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.28 99.93 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.692 ' CE2' ' HG2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -133.16 157.73 44.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.523 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 3.5 pm0 -97.16 80.03 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.616 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -70.55 149.05 46.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 9.5 m-85 -120.36 130.73 54.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.611 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 11.0 mp -37.94 -67.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.397 1.06 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.554 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.603 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 50.4 m95 -83.52 -52.98 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.523 ' HA2' ' CB ' ' A' ' 74' ' ' GLU . . . 84.22 140.65 4.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.777 ' O ' HG23 ' A' ' 85' ' ' THR . 1.4 t 33.28 43.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 0.75 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -82.83 137.05 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' THR . 1.5 m-20 -73.62 102.4 3.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 1.186 ' SG ' ' SG ' ' A' ' 93' ' ' CYS . 1.7 m -48.92 -38.82 23.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.436 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -63.32 -30.22 71.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 110.374 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 87' ' ' ASP . 21.0 m -73.21 -29.52 62.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.522 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -119.64 24.72 10.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.183 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 31.31 54.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 1.186 ' SG ' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -52.51 -176.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 108.303 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -144.77 163.23 34.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.82 HG22 ' NE2' ' A' ' 36' ' ' GLN . 59.4 t -129.47 107.97 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -121.39 -163.2 11.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.959 HD11 ' CG1' ' A' ' 55' ' ' VAL . 3.0 mm? -118.79 166.64 12.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.4 146.29 28.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.95 179.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 1.5 p30 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.514 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 80.16 -162.84 46.57 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 164.73 32.85 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.01 -81.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.734 ' C ' HG23 ' A' ' 108' ' ' VAL . . . 154.03 -159.35 28.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.042 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.734 HG23 ' C ' ' A' ' 107' ' ' GLY . 2.9 t 86.72 74.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.26 105.05 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.969 HG21 HG11 ' A' ' 69' ' ' VAL . 3.4 mt -98.9 119.53 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.591 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -82.43 100.24 9.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.825 ' CE2' HG12 ' A' ' 69' ' ' VAL . 51.1 m-85 -80.45 12.66 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.437 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -90.61 175.79 6.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.793 ' HA ' HG21 ' A' ' 108' ' ' VAL . 45.6 p -152.14 149.74 29.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.868 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -129.29 146.31 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.486 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -43.81 -56.29 7.61 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.868 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.94 -157.05 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.557 1.82 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 110' ' ' ILE . 2.6 p -158.47 -27.03 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.54 ' O ' HD23 ' A' ' 13' ' ' LEU . 63.0 p -165.39 175.56 9.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.039 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 56.52 33.79 62.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.457 1.098 . . . . 0.0 111.057 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.004 HD11 HG21 ' A' ' 110' ' ' ILE . 4.6 mt -67.68 -142.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.303 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -161.06 157.27 25.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.979 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.45 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 33.6 t70 -51.94 91.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.669 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 90.54 44.89 4.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.731 ' O ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -64.01 77.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.563 0.802 . . . . 0.0 110.397 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 16' ' ' GLY . 8.5 t -67.86 98.13 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 17' ' ' THR . 4.0 m -131.59 177.61 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -69.38 136.54 51.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.741 ' CG2' HG13 ' A' ' 7' ' ' VAL . 38.6 t -138.81 137.68 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -138.59 162.9 33.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.785 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 87.15 -176.12 46.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.785 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 148.52 -144.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 0.795 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.63 -0.31 8.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.57 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER 49.49 51.87 15.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 0.74 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.598 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 58.2 tp60 -65.42 -99.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 168.71 88.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 41.14 47.57 4.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.411 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 1.0 OUTLIER -125.63 154.28 42.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 110.445 179.938 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.73 146.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.71 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -153.19 80.45 1.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.939 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 98' ' ' SER . 2.9 t70 -57.17 130.23 45.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.745 HG22 HD21 ' A' ' 67' ' ' LEU . 37.4 t -66.31 141.87 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.32 145.49 14.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.138 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.557 ' HG3' HG23 ' A' ' 95' ' ' VAL . 1.0 OUTLIER -131.73 119.06 20.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.467 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 4.8 m -127.11 174.26 9.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 108.318 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.732 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -150.8 166.74 29.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -90.34 150.58 21.84 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.904 HG13 ' CZ2' ' A' ' 83' ' ' TRP . 2.1 t -119.53 -143.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.694 ' O ' HG22 ' A' ' 42' ' ' THR . 0.3 OUTLIER -115.13 138.5 50.83 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.868 HG22 HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER 83.94 20.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.63 1.42 90.16 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.868 HG23 HG22 ' A' ' 42' ' ' THR . 13.1 t -65.84 148.54 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.737 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.14 127.33 48.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' CD1' ' A' ' 83' ' ' TRP . . . -108.53 112.01 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.467 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -88.57 160.02 17.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 8.4 t-20 -112.68 94.36 28.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 42.49 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.576 1.83 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -131.54 0.54 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.522 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -47.5 -57.69 5.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.463 ' O ' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.57 -56.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 -180.0 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.538 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.0 m -36.01 156.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.962 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.449 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 24.1 p -159.19 145.84 16.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.904 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.0 p -149.69 -160.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.728 ' H ' HG22 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -141.83 159.35 42.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.37 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.71 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -82.2 178.05 8.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.9 p30 -131.42 119.85 22.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.94 -88.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.658 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.9 m120 -35.93 -45.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.613 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 124.33 5.6 7.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.483 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -87.77 139.53 30.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 110.009 -180.0 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.83 ' HB3' HD23 ' A' ' 97' ' ' LEU . . . -73.39 170.37 15.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' A' ' 65' ' ' THR . 6.1 p -169.28 102.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.041 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.904 ' HB ' HG21 ' A' ' 55' ' ' VAL . 1.3 t -178.37 173.69 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.361 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 42.8 m -84.67 105.74 15.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.039 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.745 HD21 HG22 ' A' ' 34' ' ' VAL . 6.7 mp -100.09 151.56 21.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.652 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -90.32 94.95 9.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.359 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.864 HG21 HG11 ' A' ' 7' ' ' VAL . 2.9 t -69.66 62.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.652 ' NE ' ' O ' ' A' ' 68' ' ' THR . 1.7 mtm180 -38.3 157.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.542 ' CG ' ' HB2' ' A' ' 112' ' ' PHE . 1.3 ttt180 -111.88 -64.3 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.427 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 13.3 p -119.28 158.57 25.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.431 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 2.9 p90 168.23 -168.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.682 ' HA ' ' H ' ' A' ' 85' ' ' THR . 1.2 pm0 -97.5 106.36 18.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.363 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -80.58 169.27 52.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.403 1.064 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -141.79 138.96 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 111.026 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 3.7 mm? -54.61 -63.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 111.034 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.904 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 69.8 t-105 -169.27 177.43 4.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 108.047 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 59.1 -76.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.682 ' H ' ' HA ' ' A' ' 74' ' ' GLU . 12.9 t 37.54 29.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 0.717 . . . . 0.0 110.389 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.775 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 179.42 -164.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.775 ' N ' HG13 ' A' ' 86' ' ' VAL . 1.8 m-20 -45.03 122.38 3.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.54 ' SG ' ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -93.58 -29.17 15.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 108.325 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.577 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 10.4 t -48.43 -33.62 9.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 0.0 110.443 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -26.23 66.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -102.56 17.99 22.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 35.53 61.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.23 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.732 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 2.7 m -64.3 172.06 2.73 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 108.25 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.467 ' HG3' ' CB ' ' A' ' 106' ' ' GLU . 7.3 pm0 -140.52 159.02 43.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.361 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.611 HG22 HD23 ' A' ' 67' ' ' LEU . 14.3 p -129.36 104.4 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -126.48 164.38 20.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.83 HD23 ' HB3' ' A' ' 63' ' ' ALA . 1.3 mm? -86.52 136.61 33.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.497 ' HB3' ' CA ' ' A' ' 104' ' ' GLY . 0.1 OUTLIER -139.55 149.78 44.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.927 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 98' ' ' SER . 9.9 t-20 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.497 ' CA ' ' HB3' ' A' ' 98' ' ' SER . . . 170.36 64.07 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -74.98 105.18 2.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.555 1.819 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.467 ' CB ' ' HG3' ' A' ' 94' ' ' GLN . 2.3 mt-10 38.14 -102.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.48 -80.45 0.34 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.793 HG21 ' HA ' ' A' ' 6' ' ' THR . 3.8 p -147.89 106.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 109.316 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.428 ' CA ' ' HB3' ' A' ' 94' ' ' GLN . . . -87.94 117.77 27.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 1.004 HG21 HD11 ' A' ' 13' ' ' LEU . 7.7 mt -126.0 157.32 36.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER -91.67 103.49 16.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.934 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.61 ' CE1' HG12 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -85.21 136.35 33.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.447 ' C ' ' NE ' ' A' ' 71' ' ' ARG . 1.6 m120 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.446 -0.205 . . . . 0.0 110.446 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.688 ' HB1' HD23 ' A' ' 97' ' ' LEU . . . -106.92 158.0 17.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.529 ' O ' HG13 ' A' ' 21' ' ' VAL . 6.9 p -151.63 160.52 43.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.082 HG12 ' HD2' ' A' ' 9' ' ' PRO . 6.6 t -113.14 135.4 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.612 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -36.48 -62.06 0.56 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.37 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.082 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.02 -157.99 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.26 38.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.997 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 110' ' ' ILE . 16.7 p -154.84 103.28 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.656 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -72.39 4.08 21.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.656 ' C ' ' O ' ' A' ' 12' ' ' GLY . 8.9 mt -15.65 -59.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 0.724 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -74.63 123.57 25.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.965 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.532 ' HA ' ' HG2' ' A' ' 71' ' ' ARG . 10.8 p30 -62.98 94.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 98.14 36.86 4.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.849 ' O ' HG23 ' A' ' 69' ' ' VAL . 89.8 m -58.16 83.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.425 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 16' ' ' GLY . 2.8 t -70.03 77.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.845 HG13 HG22 ' A' ' 17' ' ' THR . 14.2 m -103.14 173.08 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.186 -179.908 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -61.28 145.2 52.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.235 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.89 HG21 ' HB2' ' A' ' 67' ' ' LEU . 27.3 t -143.78 146.09 21.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.142 . . . . 0.0 109.254 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -149.23 154.56 39.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.372 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.759 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 100.97 175.58 29.22 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 157.15 -155.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.226 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.66 -0.59 8.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.555 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 3.8 tp 49.72 65.76 1.32 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 0.788 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.659 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -89.56 -90.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.29 -179.968 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 165.05 97.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 40.07 34.0 0.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.501 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -102.84 154.38 19.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.729 . . . . 0.0 110.407 179.99 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.61 146.2 10.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.385 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.885 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 3.0 m-85 -150.77 81.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 111.009 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.01 132.35 53.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 109.357 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.093 HG13 HD13 ' A' ' 67' ' ' LEU . 59.7 t -71.81 147.31 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -128.52 -171.62 13.03 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.531 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 171.67 109.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.243 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 14.9 m -119.36 170.62 8.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -134.75 176.12 8.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 44' ' ' VAL . 1.8 t90 -120.56 147.22 45.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.653 HG12 ' N ' ' A' ' 41' ' ' ASP . 95.9 t -133.65 -108.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.653 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -57.64 178.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 m -69.24 88.71 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 110.382 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.24 -14.4 36.6 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.445 1.091 . . . . 0.0 111.068 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.712 HG13 HD23 ' A' ' 77' ' ' LEU . 24.5 t -72.66 140.2 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.724 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 77' ' ' LEU . 1.6 tp -131.51 135.87 47.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.865 ' HB1' ' HA3' ' A' ' 75' ' ' GLY . . . -114.3 92.26 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.539 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -69.82 155.81 39.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 108.36 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 30.9 t-20 -112.62 87.7 10.18 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.398 1.061 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.98 35.0 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -135.59 5.96 3.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.411 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 1.9 m-20 -45.88 -46.69 15.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.69 -56.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.571 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.3 m -32.82 147.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.481 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 60.8 p -158.57 148.49 19.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.854 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.2 p -151.16 -162.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.218 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.644 ' H ' HG22 ' A' ' 55' ' ' VAL . 12.8 m -138.18 170.96 15.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.885 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -89.4 177.13 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.622 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.1 p30 -132.6 120.59 22.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.241 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.07 -90.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.622 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.3 m-20 -35.44 -46.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.607 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 125.09 7.15 6.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.7 OUTLIER -87.86 141.36 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 110.02 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -75.19 165.42 25.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.512 ' O ' ' HB ' ' A' ' 65' ' ' THR . 3.5 p -164.41 107.23 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.098 . . . . 0.0 109.966 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.854 ' HB ' HG21 ' A' ' 55' ' ' VAL . 8.9 t 179.26 -179.35 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.363 -179.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 4.5 m -91.0 123.76 34.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.022 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.093 HD13 HG13 ' A' ' 34' ' ' VAL . 4.2 mt -113.18 138.46 49.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.623 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 8.9 t -82.9 109.53 17.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.445 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.112 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.1 t -80.68 65.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.623 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -61.57 124.47 20.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 110.288 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.556 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -83.31 -75.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.552 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 64.8 p -84.64 120.18 26.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CD2' ' HG3' ' A' ' 70' ' ' ARG . 8.4 p90 -163.65 179.27 7.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.38 128.43 33.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.865 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -116.21 159.57 13.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 45.4 t80 -133.12 132.05 41.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.712 HD23 HG13 ' A' ' 44' ' ' VAL . 8.3 mt -40.43 -59.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.633 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.956 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.401 ' HB2' ' CD2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.703 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 7.7 m95 -63.28 -86.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 108.002 -179.936 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 102.66 141.67 11.73 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 85' ' ' THR . 0.7 OUTLIER 26.57 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 0.719 . . . . 0.0 110.432 -179.937 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.79 133.5 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.3 OUTLIER -72.78 105.83 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -68.11 -26.45 65.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 108.324 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.554 HG21 ' HB3' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -53.56 -18.29 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -79.68 -19.78 48.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.435 1.084 . . . . 0.0 110.377 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -135.55 24.08 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 32.27 90.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.656 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 1.1 p -63.22 -172.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 1.3 pm0 -142.4 146.95 35.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.75 HG12 HD12 ' A' ' 110' ' ' ILE . 12.1 p -122.62 126.29 73.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.498 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -142.57 175.34 22.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' A' ' 32' ' ' TYR . 4.6 mm? -96.08 147.81 23.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.82 152.91 50.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.521 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 63.4 58.03 12.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.3 Cg_endo -74.99 -172.71 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.443 1.76 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.62 71.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.498 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . -71.18 -84.69 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 95' ' ' VAL . 7.9 p -175.4 134.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.77 115.32 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 109.254 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 1.05 HG21 HG11 ' A' ' 69' ' ' VAL . 26.2 mt -112.61 150.26 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -81.3 84.16 6.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.112 ' CE2' HG12 ' A' ' 69' ' ' VAL . 95.6 m-85 -78.45 137.53 38.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.554 ' HB3' HG21 ' A' ' 89' ' ' THR . 2.5 t30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.516 ' CG2' ' O ' ' A' ' 106' ' ' GLU . 2.0 m . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.757 ' HB3' ' HA2' ' A' ' 96' ' ' GLY . . . -86.45 143.32 27.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.897 ' HA ' HG11 ' A' ' 108' ' ' VAL . 15.3 p -149.03 154.48 39.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.941 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -107.69 131.71 57.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.461 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.23 -54.78 1.1 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.941 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.98 163.13 35.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.806 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.632 ' HA ' HG23 ' A' ' 110' ' ' ILE . 93.6 p -125.73 2.79 7.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.483 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 99.7 p -164.0 160.84 22.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.517 ' C ' ' H ' ' A' ' 14' ' ' SER . . . 47.94 46.81 26.05 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.074 HD21 HG21 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -66.23 1.86 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.544 ' O ' ' O ' ' A' ' 13' ' ' LEU . 1.2 t 56.3 134.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 109.986 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.549 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -68.32 109.13 3.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.01 31.31 29.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.597 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -102.07 106.52 17.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.404 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.903 HG12 ' HB2' ' A' ' 66' ' ' SER . 2.1 t -79.59 102.6 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.485 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -108.83 168.93 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 120.22 11.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 6' ' ' THR . 73.7 t -124.03 138.2 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -136.34 159.89 40.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.881 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 96.05 -175.03 31.94 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.459 1.1 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.771 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 146.71 -157.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 0.807 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.87 -3.45 4.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.717 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.6 OUTLIER 48.26 65.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.64 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.9 tp60 -72.63 -104.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.411 1.069 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 167.17 55.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.28 71.93 1.29 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.464 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -160.0 160.88 33.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 0.74 . . . . 0.0 110.384 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.75 153.55 16.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.53 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -149.19 80.05 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 111.033 179.904 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -54.91 127.91 30.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.587 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 38.0 t -68.8 149.51 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -127.21 -158.43 9.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.871 ' CG ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 163.19 117.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 0.755 . . . . 0.0 110.368 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.452 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 17.8 m -125.17 -176.88 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 108.295 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB1' ' SG ' ' A' ' 88' ' ' CYS . . . -147.94 145.44 28.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.983 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 10.2 m95 -91.26 122.72 34.13 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.013 HG22 ' NE1' ' A' ' 83' ' ' TRP . 51.4 t -86.0 -114.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.58 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -91.21 40.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.506 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.8 OUTLIER 67.92 -62.94 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 -179.955 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.506 ' N ' HG22 ' A' ' 42' ' ' THR . . . -68.84 -5.63 47.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.864 ' CG1' HD21 ' A' ' 77' ' ' LEU . 45.1 t -130.04 134.73 62.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 0.806 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.576 HD21 HE22 ' A' ' 94' ' ' GLN . 0.6 OUTLIER -133.06 132.85 42.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' HB3' ' A' ' 83' ' ' TRP . . . -118.94 127.98 53.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.452 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -93.25 163.84 13.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 108.297 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.521 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 6.7 t-20 -113.04 92.83 22.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.94 40.87 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.453 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -137.59 5.85 2.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.222 -179.881 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.552 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -41.12 -50.42 3.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.55 -60.76 0.38 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.587 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.4 m -33.38 148.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 109.928 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.8 t -153.91 141.58 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.881 HG21 ' CG2' ' A' ' 65' ' ' THR . 1.2 p -143.84 -157.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.699 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.8 m -145.74 169.71 17.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.427 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.718 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -81.1 177.66 8.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.707 ' O ' ' C ' ' A' ' 59' ' ' ALA . 55.5 p30 -133.47 132.33 40.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -8.23 78.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.717 ' OD1' HD11 ' A' ' 26' ' ' LEU . 8.8 t30 150.75 -37.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.718 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 120.27 -7.9 11.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.966 179.901 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -75.77 133.23 40.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 0.734 . . . . 0.0 109.948 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -79.24 160.0 27.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 65' ' ' THR . 89.7 p -165.55 114.75 1.02 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 109.929 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.881 ' CG2' HG21 ' A' ' 55' ' ' VAL . 10.1 t 179.85 -141.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.437 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.903 ' HB2' HG12 ' A' ' 18' ' ' VAL . 9.5 p -129.85 120.17 24.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.792 HD22 HG11 ' A' ' 21' ' ' VAL . 4.9 mp -115.94 138.11 51.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.796 ' HB ' HG22 ' A' ' 18' ' ' VAL . 3.8 t -80.85 101.55 9.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.051 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.3 t -68.96 60.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.724 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.2 OUTLIER -43.35 129.95 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.572 ' O ' ' CE2' ' A' ' 73' ' ' PHE . 7.5 tmm_? -99.79 -70.56 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.258 -179.93 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.769 ' HB2' HG22 ' A' ' 86' ' ' VAL . 90.8 p -89.72 131.38 35.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE2' ' O ' ' A' ' 71' ' ' ARG . 20.8 p90 -172.13 -169.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.466 ' HA ' ' HA3' ' A' ' 84' ' ' GLY . 3.2 pt-20 -127.39 74.16 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.676 ' H ' ' HA3' ' A' ' 84' ' ' GLY . . . -62.33 -162.48 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -159.39 151.25 20.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 0.73 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.864 HD21 ' CG1' ' A' ' 44' ' ' VAL . 6.2 mt -67.69 -43.62 79.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.237 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.621 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 3.6 t80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 1.013 ' NE1' HG22 ' A' ' 40' ' ' VAL . 20.7 t-105 -173.64 -177.27 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 107.959 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.676 ' HA3' ' H ' ' A' ' 75' ' ' GLY . . . 111.97 -57.14 0.44 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.749 ' O ' HG23 ' A' ' 85' ' ' THR . 13.5 t 30.88 68.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 0.809 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.871 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER 48.29 -149.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.871 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -24.06 121.72 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.578 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -109.31 -15.94 14.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 108.227 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 12.3 t -45.99 -23.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -75.55 -23.78 56.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.426 179.953 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.983 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -101.22 -13.02 18.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 80.04 90.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -82.0 161.59 22.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 108.299 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.576 HE22 HD21 ' A' ' 45' ' ' LEU . 14.5 pm0 -140.58 143.23 35.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.871 HG22 ' CG ' ' A' ' 36' ' ' GLN . 2.6 t -114.23 118.08 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.757 ' HA2' ' HB3' ' A' ' 5' ' ' ALA . . . -129.27 175.95 18.68 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.547 1.154 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.485 ' HA ' HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -102.11 156.21 17.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.344 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -133.06 150.24 52.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.73 160.61 37.2 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.613 1.195 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.415 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.95 -93.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.537 1.809 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.516 ' O ' ' CG2' ' A' ' 4' ' ' THR . 2.3 mt-10 60.0 44.5 13.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.533 ' CA ' ' CA ' ' A' ' 96' ' ' GLY . . . -68.38 -103.33 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.897 HG11 ' HA ' ' A' ' 6' ' ' THR . 3.7 p -163.29 111.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.67 97.65 1.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 1.074 HG21 HD21 ' A' ' 13' ' ' LEU . 24.5 mt -110.62 169.47 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.524 ' N ' HG22 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -87.56 113.78 23.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.006 179.949 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.051 ' CE2' HG12 ' A' ' 69' ' ' VAL . 4.4 m-85 -94.6 125.81 39.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.975 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.594 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . -79.03 141.69 37.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.98 ' O ' HG13 ' A' ' 21' ' ' VAL . 7.4 p -144.8 154.73 42.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 110.407 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.819 ' HB ' HD11 ' A' ' 110' ' ' ILE . 53.5 t -110.09 123.77 66.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.721 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -35.29 -67.94 0.2 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 0.0 110.324 -179.972 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.721 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.0 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.438 1.757 . . . . 0.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 p -162.49 32.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 111' ' ' SER . 26.5 p -137.97 77.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.918 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.651 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -66.91 -0.98 9.88 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 179.938 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.784 HD23 ' O ' ' A' ' 111' ' ' SER . 1.6 mt -17.81 -56.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -66.6 115.72 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.542 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 39.7 t0 -55.16 96.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.681 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 101.17 37.72 3.51 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.689 ' O ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -60.19 80.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.79 . . . . 0.0 110.384 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 16' ' ' GLY . 7.0 t -68.72 92.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.715 HG21 ' HG2' ' A' ' 9' ' ' PRO . 1.8 m -115.43 172.93 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -73.41 139.16 45.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.98 HG13 ' O ' ' A' ' 6' ' ' THR . 91.7 t -135.33 139.78 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -139.17 155.45 47.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.776 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 103.72 -175.45 23.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 146.49 -159.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.54 -3.92 3.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.615 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.4 OUTLIER 46.81 68.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.336 -179.942 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.726 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 12.8 mm-40 -80.6 -100.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 158.92 57.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.416 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . 98.57 67.55 0.89 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 31' ' ' ALA . 23.0 m -153.14 167.94 27.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.413 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.458 ' N ' HG22 ' A' ' 30' ' ' THR . . . -78.38 152.91 32.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.569 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 15.8 m-85 -147.91 77.93 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.2 130.4 38.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.517 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 10.9 t -66.74 152.82 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.41 ' HA2' ' OD1' ' A' ' 51' ' ' ASP . . . -142.53 168.36 25.88 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 1.041 ' CG ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -164.88 120.5 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.307 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.664 ' HB3' HD21 ' A' ' 45' ' ' LEU . 11.4 m -131.96 178.86 6.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.882 ' HB2' ' SG ' ' A' ' 88' ' ' CYS . . . -145.35 113.91 6.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.885 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -88.85 134.18 34.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.586 1.179 . . . . 0.0 107.99 -179.972 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.651 HG22 ' HB1' ' A' ' 91' ' ' ALA . 43.7 t -115.82 -115.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.552 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.3 m-20 -75.26 57.07 0.85 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.468 HG22 ' N ' ' A' ' 43' ' ' GLY . 1.2 m 58.99 -77.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -77.99 33.82 1.7 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.451 ' H ' ' C ' ' A' ' 42' ' ' THR . 62.2 t -147.22 64.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.885 HD12 ' HB2' ' A' ' 39' ' ' TRP . 5.3 tt -111.8 107.2 16.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -88.64 122.98 32.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.528 ' HB2' ' CG ' ' A' ' 78' ' ' PHE . 1.1 m -90.69 156.18 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.615 ' OD1' ' CD1' ' A' ' 73' ' ' PHE . 10.9 t30 -115.55 86.71 15.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.661 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.95 37.54 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.481 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -124.76 -2.27 7.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.5 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -40.43 -51.82 2.81 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.17 -53.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.107 . . . . 0.0 111.037 -179.945 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.517 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.1 m -35.99 153.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 t -154.13 144.46 22.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.61 ' CG1' HD11 ' A' ' 97' ' ' LEU . 1.8 p -142.85 167.14 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.511 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.1 m -121.43 153.63 37.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.708 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -59.85 173.87 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.706 ' O ' ' C ' ' A' ' 59' ' ' ALA . 46.7 p30 -135.17 128.48 32.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.706 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -3.57 74.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.692 ' N ' ' O ' ' A' ' 58' ' ' ASP . 12.2 t30 156.42 -39.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.708 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 122.77 -8.18 9.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.3 t -78.68 131.47 36.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 0.803 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.9 156.73 28.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.221 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.3 p -152.41 115.71 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.613 HG22 ' CD1' ' A' ' 67' ' ' LEU . 0.5 OUTLIER 177.91 167.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 22.5 p -86.95 121.47 29.46 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.4 1.062 . . . . 0.0 110.019 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.765 ' HB2' HG21 ' A' ' 21' ' ' VAL . 8.0 mp -105.39 146.53 29.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.863 HG23 ' HE ' ' A' ' 70' ' ' ARG . 9.1 t -86.24 95.82 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.921 HG12 ' CE2' ' A' ' 112' ' ' PHE . 19.2 t -71.53 64.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.863 ' HE ' HG23 ' A' ' 68' ' ' THR . 4.1 mtm180 -48.4 142.97 5.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.554 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -88.83 -58.02 2.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.504 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 88.1 p -126.92 157.42 39.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.653 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 31.8 p90 176.66 -165.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.548 ' HG3' ' CE1' ' A' ' 76' ' ' PHE . 4.9 pm0 -83.95 110.69 18.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.11 121.01 5.89 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.597 1.186 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.661 ' CD1' ' HD2' ' A' ' 49' ' ' PRO . 22.8 m-85 -97.73 121.06 39.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.795 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.579 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.3 mt -25.29 -78.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.528 ' CG ' ' HB2' ' A' ' 47' ' ' CYS . 11.9 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.184 . . . . 0.0 111.027 -179.954 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.622 ' CD2' HG11 ' A' ' 86' ' ' VAL . 18.2 m95 -114.72 -82.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 108.011 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 74' ' ' GLU . . . 87.26 -33.98 3.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER -163.93 84.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 110.385 -179.952 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.622 HG11 ' CD2' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -152.4 178.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.504 ' HA ' ' CB ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -83.77 144.07 29.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.882 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -96.78 -24.48 15.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 108.283 -179.936 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.469 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 13.9 t -63.03 -26.37 68.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.098 . . . . 0.0 110.34 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.09 -19.92 50.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.651 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -112.3 25.56 11.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 37.04 64.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.727 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -50.49 178.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.318 -179.94 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 17.1 pm0 -159.6 147.07 16.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 110.24 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.041 HG22 ' CG ' ' A' ' 36' ' ' GLN . 22.1 t -118.44 121.36 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.23 -171.12 12.47 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.61 HD11 ' CG1' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -105.48 150.88 24.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 0.747 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -131.28 110.32 11.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 99' ' ' ASP . 1.4 p30 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 130.62 -165.63 22.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.506 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.4 Cg_endo -74.94 107.74 2.55 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.797 . . . . 0.0 111.044 179.92 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.6 OUTLIER 179.38 36.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -79.86 172.46 54.85 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 108' ' ' VAL . 1.4 p -97.17 110.58 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.381 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -59.0 116.84 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.819 HD11 ' HB ' ' A' ' 7' ' ' VAL . 32.5 mt -118.51 151.27 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.373 179.921 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.784 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -84.08 93.33 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.943 -179.92 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.921 ' CE2' HG12 ' A' ' 69' ' ' VAL . 71.3 m-85 -85.75 14.99 5.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.506 ' C ' HD22 ' A' ' 13' ' ' LEU . 10.9 t30 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.502 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 3.1 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.81 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -71.62 127.35 32.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.475 HG23 ' C ' ' A' ' 5' ' ' ALA . 66.9 p -154.43 153.4 31.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.902 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.042 HG13 ' CG2' ' A' ' 21' ' ' VAL . 3.0 t -112.49 135.05 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 7' ' ' VAL . 0.8 OUTLIER -32.59 -53.23 0.6 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 -179.961 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.984 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.05 -149.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.542 1.812 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.4 ' H ' ' HB2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER 175.61 -23.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.559 ' O ' HD23 ' A' ' 13' ' ' LEU . 88.5 p -172.05 165.81 6.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.935 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.94 35.94 92.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.618 HD21 ' HB2' ' A' ' 9' ' ' PRO . 3.9 mt -92.88 -148.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -156.18 152.03 27.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.542 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 31.3 t0 -53.77 108.47 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' VAL . . . 89.03 36.01 7.9 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -71.54 82.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 110.404 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.5 t -65.15 90.81 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.658 HG21 ' CG ' ' A' ' 9' ' ' PRO . 1.4 m -112.43 -171.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 65' ' ' THR . 16.7 mttt -100.71 117.38 34.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.042 ' CG2' HG13 ' A' ' 7' ' ' VAL . 4.1 t -103.57 145.64 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.368 179.913 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.82 159.69 41.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.781 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 84.03 -166.22 42.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.81 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . . . 142.6 -129.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.19 3.03 67.74 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.559 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.6 OUTLIER 41.55 67.36 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 0.788 . . . . 0.0 109.323 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.66 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 9.1 mm-40 -87.0 -100.19 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 165.36 83.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.51 28.34 73.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.8 m -103.64 154.7 19.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.396 0.704 . . . . 0.0 110.395 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 99' ' ' ASP . . . -63.21 159.38 17.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.836 ' O ' HG12 ' A' ' 55' ' ' VAL . 13.0 m-85 -156.64 75.76 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 111.07 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -53.37 142.2 22.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.734 HG21 ' HB3' ' A' ' 53' ' ' SER . 4.0 t -67.35 148.62 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -116.97 -89.2 1.42 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.556 1.16 . . . . 0.0 111.065 179.891 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.957 ' NE2' HG22 ' A' ' 95' ' ' VAL . 1.5 tp60 70.45 104.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.528 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 20.7 m -130.94 177.14 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.269 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.586 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -144.69 123.14 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.619 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -73.6 129.45 37.98 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.751 HG11 ' CE2' ' A' ' 83' ' ' TRP . 81.8 t -112.57 -104.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.511 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.8 t0 -59.35 -165.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -70.95 -48.96 50.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.14 32.2 5.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.647 ' CG1' HD13 ' A' ' 77' ' ' LEU . 23.9 t -127.28 133.23 68.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.595 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -138.51 106.84 5.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.839 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -73.3 101.54 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.621 ' C ' ' HD3' ' A' ' 49' ' ' PRO . 0.5 OUTLIER -80.54 163.47 23.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 108.266 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.661 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 31.5 t-20 -115.63 70.87 3.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.621 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.98 8.45 2.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.552 1.817 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.667 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . . . -99.81 -5.22 28.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.53 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 3.0 p-10 -54.24 -51.61 63.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.667 ' CE1' ' HA ' ' A' ' 50' ' ' ALA . 12.2 m-85 69.14 -8.49 0.69 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.734 ' HB3' HG21 ' A' ' 34' ' ' VAL . 3.8 m -65.17 158.43 26.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 78.7 p -149.74 153.26 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.03 HG11 HD22 ' A' ' 97' ' ' LEU . 13.0 p -145.46 170.78 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.512 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -131.81 149.93 52.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.465 179.95 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.623 ' HB2' ' HE2' ' A' ' 32' ' ' TYR . . . -66.51 176.28 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.695 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.9 p-10 -135.44 134.88 40.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.695 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.4 79.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.675 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.9 t30 150.95 -34.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.613 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 115.88 -3.3 21.14 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -82.81 127.51 33.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.035 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -62.79 165.34 6.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 65' ' ' THR . 85.8 p -169.94 107.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.706 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.7 OUTLIER 178.98 -165.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.438 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.696 ' N ' HG23 ' A' ' 65' ' ' THR . 93.2 p -101.77 134.91 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.065 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.729 HD11 HD23 ' A' ' 97' ' ' LEU . 2.4 mp -125.0 137.33 54.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.604 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -80.35 89.36 5.55 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.476 1.11 . . . . 0.0 110.487 179.92 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.603 HG13 ' HE2' ' A' ' 112' ' ' PHE . 89.5 t -62.74 69.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.604 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -73.41 122.14 21.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.563 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 0.4 OUTLIER -84.93 -79.31 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -76.8 100.63 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.661 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 3.0 p90 -144.04 147.77 34.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 74' ' ' GLU . 1.8 pt-20 -75.4 104.9 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.716 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -89.48 161.21 29.74 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.502 ' O ' ' C ' ' A' ' 77' ' ' LEU . 5.8 m-85 -106.72 129.2 54.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 0.759 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.647 HD13 ' CG1' ' A' ' 44' ' ' VAL . 1.6 mm? -33.06 -68.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.595 ' CZ ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' TRP . 17.2 ttp180 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.839 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -40.79 -84.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 108.025 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.538 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 137.06 114.17 1.29 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.775 ' O ' HG23 ' A' ' 85' ' ' THR . 12.4 t 27.07 77.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 0.804 . . . . 0.0 110.363 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -91.71 119.18 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.441 ' HB3' ' CB ' ' A' ' 90' ' ' THR . 8.8 m-20 -71.56 105.19 3.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.622 ' HB3' ' CE1' ' A' ' 112' ' ' PHE . 2.4 m -53.19 -57.69 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.31 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.523 HG21 ' CZ ' ' A' ' 71' ' ' ARG . 8.9 t -50.45 -28.48 8.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.441 ' CB ' ' HB3' ' A' ' 87' ' ' ASP . 52.5 m -79.78 -23.48 42.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.619 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -126.26 29.21 5.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.566 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 26.27 52.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.612 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -51.33 -179.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 108.282 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.525 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 6.2 pm0 -135.93 152.53 51.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.957 HG22 ' NE2' ' A' ' 36' ' ' GLN . 2.3 t -126.09 113.28 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.55 155.19 26.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.03 HD22 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -106.71 139.06 41.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 0.793 . . . . 0.0 109.343 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 33' ' ' ASP . 1.0 OUTLIER -141.53 158.9 43.25 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.576 1.172 . . . . 0.0 110.004 -179.905 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 t30 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.466 ' O ' ' OG ' ' A' ' 98' ' ' SER . . . -156.17 -91.91 0.09 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.536 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -74.88 -161.14 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.6 tp10 89.14 26.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 106' ' ' GLU . . . -57.9 -153.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.697 ' CG1' HG23 ' A' ' 7' ' ' VAL . 2.2 p -132.47 125.5 53.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.59 0.818 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.04 105.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.846 HD11 HG21 ' A' ' 7' ' ' VAL . 10.1 mt -99.17 136.81 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.22 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.484 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -92.82 83.85 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.173 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.695 ' CD2' HG22 ' A' ' 110' ' ' ILE . 0.9 OUTLIER -76.08 121.02 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 -179.97 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 -179.979 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.568 ' HA ' HD12 ' A' ' 97' ' ' LEU . 1.1 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.508 ' O ' HG21 ' A' ' 108' ' ' VAL . . . -102.52 167.12 10.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.985 ' O ' HG13 ' A' ' 21' ' ' VAL . 6.4 p -152.59 157.3 40.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.039 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.6 t -95.06 122.23 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.581 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -29.01 -60.76 0.23 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.039 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.93 -84.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.708 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.0 t 85.69 29.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.633 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 23.4 p 172.67 151.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.39 44.08 97.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.881 ' CB ' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -111.32 -152.33 0.5 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.6 t -152.98 163.06 40.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.064 179.928 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.525 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 2.6 p-10 -58.6 112.33 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.42 34.42 14.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.881 HG21 ' CB ' ' A' ' 13' ' ' LEU . 3.4 t -83.88 93.29 7.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 110.404 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.695 HG22 ' HB ' ' A' ' 68' ' ' THR . 3.4 t -78.6 91.51 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.691 HG21 ' CG ' ' A' ' 9' ' ' PRO . 5.7 m -108.45 170.95 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -65.93 140.91 58.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.985 HG13 ' O ' ' A' ' 6' ' ' THR . 92.5 t -141.8 141.6 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.6 158.62 43.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.892 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 105.59 174.03 23.94 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.753 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.21 -162.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 0.801 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.53 -4.33 3.85 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.576 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER 50.59 62.11 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 0.742 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.638 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -90.14 -88.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 166.69 87.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.546 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 62.37 10.76 30.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 55.2 m -73.83 164.07 27.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 0.786 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.34 146.53 34.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.802 ' CD1' HD23 ' A' ' 97' ' ' LEU . 2.7 m-85 -145.11 77.96 1.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.67 129.33 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.588 HG22 HD21 ' A' ' 67' ' ' LEU . 28.3 t -69.66 138.74 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' OD1' ' A' ' 51' ' ' ASP . . . -112.31 -176.59 19.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.537 ' CB ' ' NH1' ' A' ' 70' ' ' ARG . 2.0 tp60 176.49 103.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.676 ' HB3' HD21 ' A' ' 45' ' ' LEU . 34.6 m -132.47 -179.1 5.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.276 -179.94 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.463 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -141.73 85.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.608 ' HB2' HD12 ' A' ' 45' ' ' LEU . 68.2 t90 -73.27 121.48 20.43 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.926 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.685 HG21 ' HB1' ' A' ' 91' ' ' ALA . 35.5 t -117.56 -117.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.537 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -57.91 175.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.5 m -66.1 90.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.41 -9.46 41.86 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.011 HG13 HD21 ' A' ' 77' ' ' LEU . 21.9 t -90.46 66.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.696 ' C ' HD23 ' A' ' 45' ' ' LEU . 4.4 tt -108.28 122.48 47.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.937 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -100.26 100.68 11.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.676 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -80.7 152.34 28.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 108.293 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.535 ' ND2' ' CD1' ' A' ' 73' ' ' PHE . 6.5 t-20 -113.48 89.83 16.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.382 179.906 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.569 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 18.1 Cg_endo -75.1 44.03 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.42 3.04 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 53' ' ' SER . 4.0 p30 -45.65 -62.38 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.11 -47.6 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.985 179.94 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.554 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.1 m -38.61 155.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.934 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 p -146.32 140.36 26.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.655 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 2.7 p -127.3 153.23 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 2.5 m -112.02 151.9 28.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.388 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -80.21 173.66 12.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.634 ' O ' ' N ' ' A' ' 60' ' ' ASN . 9.4 p30 -132.78 120.72 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.23 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.534 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.75 -89.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.634 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.6 m-20 -36.7 -46.94 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.576 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 130.11 -2.48 5.89 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.5 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 28.9 t -76.07 137.73 40.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 0.812 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.892 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -74.45 157.95 34.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.3 p -160.15 105.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.429 HG23 HD12 ' A' ' 67' ' ' LEU . 1.6 t -176.62 173.69 1.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.563 ' HB3' HG12 ' A' ' 18' ' ' VAL . 19.9 m -88.52 122.54 32.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.802 ' HB2' HG21 ' A' ' 21' ' ' VAL . 11.0 mp -112.34 142.95 44.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.235 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.869 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.4 t -88.96 106.11 18.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.132 HG12 ' CE2' ' A' ' 112' ' ' PHE . 1.3 t -76.63 60.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.869 ' NE ' HG23 ' A' ' 68' ' ' THR . 2.3 mtm180 -42.55 132.51 3.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.539 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 7.1 tmm_? -100.09 -75.86 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.443 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -83.32 122.86 29.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 88' ' ' CYS . 8.6 p90 -169.76 -168.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 2.7 pm0 -108.7 123.83 49.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' GLY . . . -125.54 149.96 17.29 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.676 ' CZ ' ' CB ' ' A' ' 47' ' ' CYS . 35.9 p90 -107.31 131.83 53.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.011 HD21 HG13 ' A' ' 44' ' ' VAL . 1.2 mt -52.05 -41.16 62.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.733 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.937 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -168.66 -41.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 108.003 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -92.81 64.37 2.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.829 ' O ' HG23 ' A' ' 85' ' ' THR . 1.3 t -103.3 51.09 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 0.787 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.804 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -178.24 -156.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.248 179.938 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.804 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -54.42 101.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 20.9 p -57.09 -27.89 62.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 108.389 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.0 t -51.35 -21.45 2.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.374 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -83.11 -17.37 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 179.958 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.685 ' HB1' HG21 ' A' ' 40' ' ' VAL . . . -121.69 28.67 7.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.507 ' O ' ' O ' ' A' ' 91' ' ' ALA . . . 44.49 100.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.67 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -93.2 162.8 13.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 8.4 pt20 -152.61 150.17 29.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.518 ' H ' HD12 ' A' ' 110' ' ' ILE . 66.1 t -128.1 111.28 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -127.91 172.03 19.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.923 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -79.81 137.34 36.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.35 -179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.638 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -129.04 128.8 44.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.906 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.222 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.0 t30 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 76.05 -146.91 34.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.77 17.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.591 1.837 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.429 ' HG2' ' N ' ' A' ' 97' ' ' LEU . 17.1 tp10 -117.89 -71.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.479 ' O ' ' HB ' ' A' ' 108' ' ' VAL . . . 138.74 -148.45 19.97 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 5' ' ' ALA . 17.6 t 77.7 70.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.34 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.48 107.87 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 1.061 HG21 HG11 ' A' ' 69' ' ' VAL . 3.8 mt -108.04 148.84 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.802 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -97.48 102.19 13.89 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.132 ' CE2' HG12 ' A' ' 69' ' ' VAL . 3.4 m-85 -91.79 130.87 37.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.18 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.9 t30 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.973 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 5' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.834 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . -105.37 173.25 6.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.936 ' HA ' HG21 ' A' ' 108' ' ' VAL . 19.9 p -153.0 156.4 38.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.439 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.976 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.6 t -93.25 135.04 29.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.53 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.54 -58.35 1.03 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.976 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.0 -168.46 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.455 ' C ' HG23 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -154.11 19.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.05 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.559 ' O ' HD12 ' A' ' 13' ' ' LEU . 51.9 p -177.57 64.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 110.041 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.995 ' HA3' HG21 ' A' ' 17' ' ' THR . . . -49.8 -28.49 11.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.626 HD23 ' C ' ' A' ' 113' ' ' ASN . 0.6 OUTLIER 46.63 20.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 0.8 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.488 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -139.92 114.64 9.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.497 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 10.0 p-10 -60.55 95.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.549 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 108.49 31.22 3.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.436 1.085 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.995 HG21 ' HA3' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -74.86 98.11 3.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 0.743 . . . . 0.0 110.457 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 7.4 t -83.25 113.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.945 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.816 HG21 ' CG ' ' A' ' 9' ' ' PRO . 3.7 m -136.36 174.24 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 153.16 44.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.864 HG13 ' O ' ' A' ' 6' ' ' THR . 22.8 t -150.08 146.53 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -145.21 158.31 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.855 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 96.98 -176.3 31.79 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 150.24 -156.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.52 -0.64 8.53 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.737 HD11 ' OD1' ' A' ' 60' ' ' ASN . 2.7 tp 46.36 72.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.698 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 10.4 tp60 -82.02 -98.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 162.25 51.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.79 72.74 1.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.467 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 3.7 t -156.43 163.42 39.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 110.349 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.26 153.94 39.61 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.737 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 5.1 m-85 -148.73 78.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 1.0 OUTLIER -58.1 119.81 7.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.08 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.672 HG21 HD22 ' A' ' 67' ' ' LEU . 34.6 t -56.59 160.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.429 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -148.88 156.38 26.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.932 ' CG ' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -149.06 120.66 8.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.489 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 9.5 m -130.0 172.9 11.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 108.273 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.586 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.09 154.85 47.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.636 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -79.52 137.61 37.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.051 179.933 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.685 ' HB ' HG12 ' A' ' 44' ' ' VAL . 85.4 t -109.49 -105.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.526 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -166.01 129.1 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 1.037 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.1 m 66.56 91.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 42' ' ' THR . . . 30.92 43.54 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.037 HG23 ' O ' ' A' ' 42' ' ' THR . 55.6 t -127.17 133.15 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 39' ' ' TRP . 3.9 tp -134.27 126.86 30.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.656 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -86.27 93.29 9.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.489 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.0 OUTLIER -79.79 147.86 31.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 -179.967 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.725 ' CG ' ' CD2' ' A' ' 73' ' ' PHE . 20.9 t-20 -113.39 95.14 34.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HD3' ' CD2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -75.04 34.84 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.445 1.761 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.684 ' HB3' ' OD1' ' A' ' 48' ' ' ASN . . . -124.54 0.08 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.7 OUTLIER -39.59 -42.26 1.15 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.96 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 21.4 m-85 62.78 -59.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 111.057 -179.923 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.3 m -31.7 146.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 66.2 p -158.33 139.02 12.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.817 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.3 p -139.68 -157.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.226 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.706 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -147.49 160.84 42.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.945 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.737 ' HB2' ' HE2' ' A' ' 32' ' ' TYR . . . -69.45 -179.64 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.708 ' O ' ' N ' ' A' ' 60' ' ' ASN . 53.1 p30 -137.24 132.89 34.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.189 . . . . 0.0 109.237 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.696 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -8.76 77.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.938 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.737 ' OD1' HD11 ' A' ' 26' ' ' LEU . 10.0 t30 151.99 -35.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.356 -179.955 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.643 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 118.07 -8.06 14.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.501 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -77.2 137.59 38.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 0.0 110.045 179.92 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.855 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -83.13 159.2 22.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.485 ' O ' ' HB ' ' A' ' 65' ' ' THR . 90.5 p -160.2 107.97 1.65 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.949 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.817 ' HB ' HG21 ' A' ' 55' ' ' VAL . 6.9 t -179.8 167.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.374 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.498 ' C ' HD23 ' A' ' 67' ' ' LEU . 66.8 p -90.81 116.14 28.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.058 179.922 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.769 HD21 HG23 ' A' ' 65' ' ' THR . 5.9 mt -101.1 159.82 14.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.852 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.9 t -101.11 92.34 4.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.435 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.039 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.0 t -68.96 67.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.852 ' NE ' HG23 ' A' ' 68' ' ' THR . 1.0 OUTLIER -65.52 141.72 58.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.762 ' HD3' HG22 ' A' ' 89' ' ' THR . 9.3 tmm_? -92.26 -68.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.401 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 22.8 t -63.69 103.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.96 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.725 ' CD2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -139.02 161.46 37.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.959 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.503 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -104.96 76.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.609 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -74.57 147.56 37.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 22.5 p90 -116.07 130.01 56.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 0.762 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.846 HD23 HG11 ' A' ' 44' ' ' VAL . 4.3 mp -40.08 -66.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.616 1.198 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.956 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 16.7 ttm105 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.679 ' CE3' HG21 ' A' ' 86' ' ' VAL . 37.4 m95 -48.33 -87.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.524 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 99.87 132.48 7.74 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.73 ' O ' HG23 ' A' ' 85' ' ' THR . 3.1 t 28.74 44.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 0.755 . . . . 0.0 110.42 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.679 HG21 ' CE3' ' A' ' 83' ' ' TRP . 8.9 p -89.78 140.41 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.459 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -73.47 101.87 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.765 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -52.49 -24.94 8.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 108.291 -179.969 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.762 HG22 ' HD3' ' A' ' 71' ' ' ARG . 1.8 t -69.89 -20.4 63.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -84.9 -27.03 26.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -119.94 18.63 12.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 34.64 61.95 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 1.9 p -52.08 -176.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.528 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 4.0 pm0 -143.95 159.72 42.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.243 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.952 HG21 HG13 ' A' ' 69' ' ' VAL . 2.5 t -130.0 119.2 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -136.62 175.22 21.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.917 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.691 HD23 ' CB ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -86.55 156.24 20.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 0.732 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.48 ' OG ' ' CB ' ' A' ' 103' ' ' ASN . 0.4 OUTLIER -138.92 123.01 17.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 179.992 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.48 ' CB ' ' OG ' ' A' ' 98' ' ' SER . 2.8 p30 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 131.96 -158.87 23.07 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.06 111.28 3.29 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.5 OUTLIER 173.31 40.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 179.973 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.411 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -86.3 172.33 45.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.936 HG21 ' HA ' ' A' ' 6' ' ' THR . 21.8 t -97.34 110.5 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 0.725 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.77 107.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.524 HG13 HG12 ' A' ' 108' ' ' VAL . 7.1 mt -113.88 155.08 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.517 ' O ' ' HA ' ' A' ' 11' ' ' SER . 1.8 m -92.54 100.9 13.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.039 ' CE2' HG12 ' A' ' 69' ' ' VAL . 4.8 m-85 -88.27 18.26 4.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.626 ' C ' HD23 ' A' ' 13' ' ' LEU . 54.2 t30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.631 HG22 ' CD ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.547 0.213 . . . . 0.0 110.428 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.63 174.06 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.954 ' O ' HG13 ' A' ' 21' ' ' VAL . 69.9 p -149.37 152.13 35.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 110.358 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 21' ' ' VAL . 4.8 t -111.58 110.01 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.678 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -24.02 -65.84 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.989 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.893 ' HB2' HD21 ' A' ' 13' ' ' LEU . 18.1 Cg_endo -75.0 -89.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.549 1.815 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.599 ' HA ' HG23 ' A' ' 110' ' ' ILE . 4.4 t 85.86 21.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 110.085 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.482 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 51.4 p -173.2 147.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 110.011 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.03 35.38 87.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.438 1.086 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.893 HD21 ' HB2' ' A' ' 9' ' ' PRO . 29.2 mt -92.59 -142.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 0.794 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.48 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.3 OUTLIER -159.54 170.47 21.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.014 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.508 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 12.3 t70 -60.68 107.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.47 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 78.27 37.35 28.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.928 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.929 HG22 HG13 ' A' ' 19' ' ' VAL . 8.2 m -76.88 90.52 3.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.57 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.4 t -66.71 84.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.407 1.067 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.929 HG13 HG22 ' A' ' 17' ' ' THR . 1.3 m -94.4 166.33 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 65' ' ' THR . 7.6 mtpt -67.6 141.11 56.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.954 HG13 ' O ' ' A' ' 6' ' ' THR . 98.2 t -139.6 139.83 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -137.9 157.15 47.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.83 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 90.0 -166.66 32.58 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.564 1.165 . . . . 0.0 111.089 -179.932 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 141.97 -142.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 0.726 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.49 0.31 26.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.548 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.7 OUTLIER 42.82 65.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.697 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 18.7 tp60 -75.4 -99.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 162.11 54.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.99 71.95 1.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -157.93 163.02 38.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 110.364 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.26 152.71 36.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.892 ' HB3' HD23 ' A' ' 97' ' ' LEU . 2.1 m-85 -148.37 78.93 1.44 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.545 1.153 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -55.12 128.74 35.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.843 ' CG1' HD22 ' A' ' 67' ' ' LEU . 21.2 t -70.46 149.31 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -129.69 146.75 17.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.103 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 2.9 tp60 -134.6 112.6 10.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.77 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.572 ' C ' ' CE1' ' A' ' 73' ' ' PHE . 28.3 m -129.56 -175.36 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 108.315 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.963 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . . . -153.03 124.49 7.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.84 ' HB2' HD12 ' A' ' 45' ' ' LEU . 10.7 t90 -101.42 108.91 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.958 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.601 HG22 ' CB ' ' A' ' 91' ' ' ALA . 46.3 t -88.93 -115.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.574 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -56.31 -160.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.1 m -68.27 -51.18 47.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.34 39.95 2.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.6 HG13 HD21 ' A' ' 77' ' ' LEU . 46.9 t -126.79 52.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.737 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.84 HD12 ' HB2' ' A' ' 39' ' ' TRP . 1.3 tt -101.25 113.16 25.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.464 ' HB1' ' C ' ' A' ' 76' ' ' PHE . . . -102.5 157.32 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.482 ' O ' ' CA ' ' A' ' 75' ' ' GLY . 0.8 OUTLIER -118.12 152.06 36.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 108.259 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 15.0 t-20 -109.8 97.12 27.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.94 39.85 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.461 1.769 . . . . 0.0 111.064 179.943 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.575 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -133.71 5.0 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.57 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -40.35 -45.9 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 23.0 m-85 62.77 -59.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.055 -179.938 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.57 ' N ' ' O ' ' A' ' 51' ' ' ASP . 1.7 m -32.98 148.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.416 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 54.8 p -159.09 142.86 15.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.918 HG21 ' CG2' ' A' ' 65' ' ' THR . 1.2 p -142.18 -158.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.702 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.5 m -144.66 166.81 24.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.609 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -80.07 -177.77 6.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.689 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.8 p30 -137.51 135.63 36.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.689 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -11.76 80.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.689 ' N ' ' O ' ' A' ' 58' ' ' ASP . 8.3 t30 149.55 -34.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.523 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 115.67 -6.37 20.44 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -78.25 131.0 36.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.921 -179.902 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.83 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -76.6 163.23 27.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.527 ' O ' ' HB ' ' A' ' 65' ' ' THR . 18.0 p -164.44 114.72 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.918 ' CG2' HG21 ' A' ' 55' ' ' VAL . 5.0 t 178.03 -132.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.533 ' N ' ' OG1' ' A' ' 65' ' ' THR . 2.6 m -146.22 136.84 24.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.843 HD22 ' CG1' ' A' ' 34' ' ' VAL . 22.3 mt -114.59 134.56 54.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.891 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 1.2 t -74.46 98.27 3.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.828 HG12 ' CE2' ' A' ' 112' ' ' PHE . 72.5 t -69.22 68.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.239 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.891 ' CZ ' HG23 ' A' ' 68' ' ' THR . 1.3 mtm180 -61.42 119.88 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 73' ' ' PHE . 15.8 ttp180 -73.35 -64.21 1.03 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 92.7 p -57.91 79.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.033 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.963 ' CE2' ' HB3' ' A' ' 38' ' ' ALA . 10.3 t80 -52.6 160.11 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 73' ' ' PHE . 53.4 mt-10 -160.02 65.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -126.76 178.62 16.73 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' A' ' 78' ' ' PHE . 14.5 p90 -126.03 150.69 47.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.609 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 10.2 mt -36.73 -60.29 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.609 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.474 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.549 ' HZ2' HG13 ' A' ' 44' ' ' VAL . 34.9 m95 -92.75 -63.63 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.945 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.6 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 74.47 158.31 5.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 19.52 79.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 0.801 . . . . 0.0 110.394 -179.971 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' ' 86' ' ' VAL . 1.5 t -116.19 99.42 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 88' ' ' CYS . 5.1 m-20 -47.56 109.38 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.779 ' C ' HG23 ' A' ' 89' ' ' THR . 0.8 OUTLIER -53.87 -168.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.35 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.91 HG22 ' HB2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER 67.65 -4.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.959 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -108.93 -30.86 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.601 ' CB ' HG22 ' A' ' 40' ' ' VAL . . . -123.11 4.4 9.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 93' ' ' CYS . . . 49.76 60.59 3.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 3.8 m -43.93 164.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 108.325 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.453 ' HB2' ' C ' ' A' ' 107' ' ' GLY . 0.7 OUTLIER -126.53 150.84 48.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.17 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 67' ' ' LEU . 90.9 t -135.79 98.0 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -118.43 -169.02 14.45 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.434 1.084 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.892 HD23 ' HB3' ' A' ' 32' ' ' TYR . 2.7 mp -115.11 156.49 25.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -165.87 155.0 11.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.052 179.955 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -127.14 -76.07 0.22 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.562 1.163 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -167.71 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.454 1.766 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.631 ' CD ' HG22 ' A' ' 4' ' ' THR . 1.2 tp10 -165.66 -77.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.175 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.644 ' C ' HG23 ' A' ' 108' ' ' VAL . . . 146.21 -143.4 11.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.644 HG23 ' C ' ' A' ' 107' ' ' GLY . 2.9 t 80.62 77.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.32 107.85 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.38 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.737 HG21 HD12 ' A' ' 13' ' ' LEU . 2.4 mp -99.03 153.78 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -108.05 118.68 37.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.007 -179.98 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.91 ' HB2' HG22 ' A' ' 89' ' ' THR . 14.1 m-85 -90.73 122.57 33.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 t30 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.947 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.523 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 54.6 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.801 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -69.94 117.49 11.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -146.61 156.61 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.444 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.9 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.1 t -115.61 149.35 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.497 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -39.56 -56.79 2.74 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 179.965 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.9 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.95 -156.66 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.561 1.821 . . . . 0.0 110.969 -179.942 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.517 ' C ' HG23 ' A' ' 110' ' ' ILE . 39.5 t -161.94 -23.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.545 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 1.4 p -169.66 168.11 9.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 64.35 31.43 80.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.995 HD11 HG21 ' A' ' 110' ' ' ILE . 5.7 mt -66.27 -142.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 0.74 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.2 t -166.23 158.16 13.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.957 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.427 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 37.5 t0 -53.04 90.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.69 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 94.87 44.05 3.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -64.25 77.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.4 -179.954 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 16' ' ' GLY . 12.2 t -71.73 91.56 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.495 HG21 ' CD ' ' A' ' 9' ' ' PRO . 3.7 m -118.82 -175.29 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 65' ' ' THR . 12.8 tttt -87.18 124.28 33.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.633 HG22 HG13 ' A' ' 7' ' ' VAL . 11.4 t -108.03 149.22 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.35 158.16 44.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.766 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 75.75 -158.39 49.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.801 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . . . 140.73 -128.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LEU . . . -77.97 4.16 58.7 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.499 ' N ' ' OH ' ' A' ' 32' ' ' TYR . 3.0 tp 39.89 68.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.517 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 35.9 mt-30 -83.79 -110.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 174.4 67.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.17 44.66 11.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.13 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.6 m -122.78 162.41 22.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 0.753 . . . . 0.0 110.374 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.98 156.18 28.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.607 ' CD2' ' HB2' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -142.63 73.68 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 -179.969 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.4 OUTLIER -59.98 114.32 2.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.672 HG22 HD23 ' A' ' 97' ' ' LEU . 94.3 t -48.81 155.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.55 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -135.03 -85.74 0.22 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.381 1.05 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.55 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER 72.66 108.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 110.297 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.559 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 27.0 m -123.54 -178.42 4.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 108.325 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -138.38 100.07 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.843 ' CB ' HD12 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -79.34 129.58 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 107.982 179.994 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.722 HG21 ' CZ2' ' A' ' 83' ' ' TRP . 4.9 t -116.02 -36.63 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.426 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -167.99 -175.71 2.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.4 m -61.32 90.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.91 -5.91 59.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.158 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.796 ' HA ' HD21 ' A' ' 77' ' ' LEU . 2.9 t -95.83 43.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.466 0.745 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.843 HD12 ' CB ' ' A' ' 39' ' ' TRP . 5.9 tt -109.16 116.82 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.807 ' HB3' ' CD1' ' A' ' 83' ' ' TRP . . . -103.16 117.18 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.559 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.0 OUTLIER -72.53 167.59 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.256 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.595 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 8.0 t-20 -119.86 70.39 14.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.55 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.6 Cg_endo -74.89 27.44 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.069 179.937 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -103.49 -17.66 15.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.592 ' OD2' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -67.39 -62.7 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.57 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 1.3 t80 79.63 -27.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.592 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 66.8 m -33.84 155.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.933 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.47 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 28.2 p -160.04 147.81 16.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.906 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.869 HG12 HD22 ' A' ' 97' ' ' LEU . 1.6 p -145.15 -161.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.691 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.8 m -138.27 159.67 41.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.553 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -75.62 -171.47 1.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 60' ' ' ASN . 57.0 p30 -144.57 137.31 26.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.657 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -15.67 83.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.669 ' N ' ' O ' ' A' ' 58' ' ' ASP . 5.5 t30 148.6 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.471 ' HA3' ' C ' ' A' ' 27' ' ' GLN . . . 114.41 -6.95 22.83 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.502 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 6.6 t -80.08 138.15 36.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 109.934 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.756 ' CB ' HD13 ' A' ' 97' ' ' LEU . . . -83.89 169.79 14.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.452 ' O ' ' HB ' ' A' ' 65' ' ' THR . 21.6 m -168.22 111.13 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.978 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.863 ' HB ' HG21 ' A' ' 55' ' ' VAL . 9.0 t -177.84 -144.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 110.36 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.504 ' N ' ' OG1' ' A' ' 65' ' ' THR . 50.2 m -134.12 123.06 23.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.55 ' HB2' HG21 ' A' ' 21' ' ' VAL . 5.6 mp -116.07 157.63 24.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.42 93.84 7.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.056 HG12 ' CE2' ' A' ' 112' ' ' PHE . 12.0 t -72.37 66.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.378 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -55.43 142.51 32.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.228 -179.863 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.581 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 3.4 tmm_? -99.17 -68.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.356 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.434 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 45.4 t -96.44 123.07 39.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.982 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.595 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 5.8 p90 -160.72 -175.85 5.2 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.459 ' HB3' ' N ' ' A' ' 85' ' ' THR . 1.4 pm0 -118.72 88.13 2.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.438 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -84.27 179.43 51.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -138.56 139.89 38.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.796 HD21 ' HA ' ' A' ' 44' ' ' VAL . 7.1 mp -75.27 -47.67 26.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 26.0 ttt180 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.807 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -56.89 -79.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.939 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 121.88 159.97 10.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.833 ' O ' HG23 ' A' ' 85' ' ' THR . 5.5 t -60.81 66.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.612 ' N ' ' O ' ' A' ' 84' ' ' GLY . 9.9 p -117.8 161.55 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.404 ' HB3' HG22 ' A' ' 89' ' ' THR . 0.2 OUTLIER -73.22 122.27 21.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -76.38 -28.4 56.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 108.255 -179.953 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 2.5 t -49.26 -21.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -21.26 46.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -122.56 16.14 10.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 35.76 78.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 -179.935 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 5.6 p -65.86 175.66 1.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 108.308 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.571 HE22 HD11 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -126.92 139.24 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 179.951 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.042 HG11 HG13 ' A' ' 69' ' ' VAL . 1.1 p -121.51 121.49 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.66 171.02 37.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.869 HD22 HG12 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -97.45 157.64 15.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.764 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 33' ' ' ASP . 47.7 t -153.36 164.13 38.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.422 ' O ' ' OD1' ' A' ' 99' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 75.2 68.35 1.56 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -74.89 132.86 16.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.419 1.747 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.4 mm-40 157.86 44.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 106' ' ' GLU . . . -47.05 -98.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.581 1.176 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.973 HG12 ' O ' ' A' ' 95' ' ' VAL . 10.6 p -168.27 109.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.45 100.4 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.995 HG21 HD11 ' A' ' 13' ' ' LEU . 6.3 mt -112.39 156.18 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.545 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 1.3 m -86.35 112.27 21.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.056 ' CE2' HG12 ' A' ' 69' ' ' VAL . 5.5 m-85 -90.28 129.87 36.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.2 t30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.988 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . . . -86.42 148.93 25.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.955 ' O ' HG13 ' A' ' 21' ' ' VAL . 11.1 p -150.32 155.38 39.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.027 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.0 t -106.34 132.6 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.58 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.72 -60.53 0.75 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.027 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -75.04 -159.44 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.549 1.815 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 p -158.55 25.19 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.959 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.55 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 69.9 p -170.61 56.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.058 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.683 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -46.6 -31.45 5.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.55 ' CD1' ' O ' ' A' ' 11' ' ' SER . 0.8 OUTLIER 52.87 -76.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.683 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -36.89 122.85 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.937 -179.897 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.522 ' HA ' ' HG2' ' A' ' 71' ' ' ARG . 7.1 p-10 -58.01 92.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.681 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 99.82 40.6 3.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.837 ' O ' HG23 ' A' ' 69' ' ' VAL . 96.3 m -66.12 87.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.425 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.666 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.3 t -67.74 78.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.698 HG13 HG22 ' A' ' 17' ' ' THR . 0.6 OUTLIER -100.47 165.28 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.365 179.93 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.4 143.94 52.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.955 HG13 ' O ' ' A' ' 6' ' ' THR . 98.2 t -146.28 142.0 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.7 157.52 44.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.84 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 101.82 -172.4 22.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 145.01 -157.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.72 -2.84 3.81 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.554 1.159 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.659 HD11 ' OD1' ' A' ' 60' ' ' ASN . 1.1 tp 47.91 67.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.397 0.704 . . . . 0.0 109.237 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.713 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 47.8 tp60 -84.77 -98.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 161.82 79.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.908 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.36 69.9 1.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.449 1.093 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -153.47 153.49 32.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 0.767 . . . . 0.0 110.406 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.23 150.77 10.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.723 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 2.9 m-85 -150.58 79.85 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' SER . 8.3 t70 -60.79 119.63 8.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.44 1.088 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 1.009 HG13 HD13 ' A' ' 67' ' ' LEU . 71.2 t -56.29 159.21 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' HA2' ' CG ' ' A' ' 51' ' ' ASP . . . -143.48 148.25 19.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -139.09 111.88 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.603 ' CB ' HD21 ' A' ' 45' ' ' LEU . 21.9 m -123.8 -179.46 4.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 108.294 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.521 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -145.75 101.93 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.947 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -72.84 132.19 43.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.994 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.619 HG22 ' HB1' ' A' ' 91' ' ' ALA . 56.5 t -124.49 -111.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.547 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -59.97 -178.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.5 m -71.5 88.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 179.985 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.91 -10.06 40.49 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.903 HG13 HD13 ' A' ' 77' ' ' LEU . 7.5 t -90.45 86.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.947 HD12 ' HB2' ' A' ' 39' ' ' TRP . 6.3 tt -113.83 115.16 27.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.24 -179.936 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.941 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -82.85 97.81 8.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.509 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -81.87 142.78 32.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 108.235 -179.993 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.64 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 5.1 t-20 -110.1 96.84 27.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -75.01 35.16 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.77 . . . . 0.0 111.056 179.92 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -127.58 2.06 6.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -36.54 -38.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 13.3 m-85 62.26 -61.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.1 m -33.36 145.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 110.005 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.441 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 14.6 p -161.89 139.5 8.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.87 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.2 p -144.17 -154.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.688 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -144.51 161.6 38.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.723 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -71.34 -179.71 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.702 ' O ' ' C ' ' A' ' 59' ' ' ALA . 55.9 p-10 -137.01 134.65 36.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.702 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.12 82.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.659 ' OD1' HD11 ' A' ' 26' ' ' LEU . 6.7 t30 146.08 -35.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.611 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 117.04 -3.98 18.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.478 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -76.78 127.42 32.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 109.969 -179.993 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.19 158.64 28.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.476 ' O ' HG21 ' A' ' 55' ' ' VAL . 92.4 p -153.62 113.43 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.97 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.87 ' HB ' HG21 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.05 169.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.925 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.725 ' C ' HD23 ' A' ' 67' ' ' LEU . 7.6 m -94.18 125.85 39.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.009 HD13 HG13 ' A' ' 34' ' ' VAL . 3.4 mt -106.77 139.56 41.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.916 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.3 t -82.65 103.86 12.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.837 HG23 ' O ' ' A' ' 17' ' ' THR . 3.0 t -70.12 64.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.916 ' NE ' HG23 ' A' ' 68' ' ' THR . 11.3 mtm180 -65.21 127.44 31.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.561 ' CG ' ' H ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -84.78 -76.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.226 -179.926 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.561 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 46.1 t -55.58 99.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.64 ' CE2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -137.89 164.04 29.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.98 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.46 ' HB3' ' N ' ' A' ' 85' ' ' THR . 0.3 OUTLIER -121.31 70.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.616 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -58.9 168.95 5.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.497 ' O ' ' C ' ' A' ' 77' ' ' LEU . 5.9 m-85 -118.6 130.61 55.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.903 HD13 HG13 ' A' ' 44' ' ' VAL . 2.3 mm? -33.04 -62.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.583 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.941 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -48.65 -81.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 108.027 179.959 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 163.33 146.59 4.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 85' ' ' THR . 4.8 m -69.42 69.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.515 HG22 ' H ' ' A' ' 87' ' ' ASP . 9.8 p -115.87 170.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.811 ' HB3' HG22 ' A' ' 89' ' ' THR . 2.8 m-20 -60.81 89.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 71' ' ' ARG . 13.9 p -49.45 -24.88 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 -179.921 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.811 HG22 ' HB3' ' A' ' 87' ' ' ASP . 10.0 t -52.27 -27.02 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.346 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.56 -25.73 65.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.619 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -111.53 30.66 6.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 38.11 56.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.228 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.66 ' SG ' ' CG ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -42.64 162.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 108.324 179.984 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -135.73 151.14 49.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.931 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.525 HG12 ' CD1' ' A' ' 110' ' ' ILE . 9.7 p -132.94 117.59 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.477 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -132.34 -155.88 8.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -112.26 150.79 30.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 0.708 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -135.23 153.02 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.976 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.404 ' HB2' ' CG ' ' A' ' 99' ' ' ASP . 4.9 t30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.44 135.04 13.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.685 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.5 Cg_endo -75.0 -153.13 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.481 1.78 . . . . 0.0 111.017 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.685 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 7.7 tt0 103.89 150.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.477 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . -168.1 -82.13 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.942 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.719 HG11 ' HA ' ' A' ' 6' ' ' THR . 1.2 p 178.82 132.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 0.781 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.44 107.91 12.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.525 ' CD1' HG12 ' A' ' 95' ' ' VAL . 2.3 mp -107.58 159.45 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 0.8 OUTLIER -88.84 87.09 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.075 179.929 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.681 ' CE2' HG12 ' A' ' 69' ' ' VAL . 23.3 m-85 -72.27 171.1 12.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.789 ' HB3' HG21 ' A' ' 89' ' ' THR . 4.5 t30 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.497 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.942 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -78.47 135.9 37.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.604 ' O ' HG13 ' A' ' 21' ' ' VAL . 66.6 p -153.56 152.99 31.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.978 HG22 HG22 ' A' ' 21' ' ' VAL . 3.2 t -106.17 122.26 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.783 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -29.38 -70.43 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.783 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.98 -89.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.696 ' HA ' HG23 ' A' ' 110' ' ' ILE . 1.4 p 89.99 36.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 110.01 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.666 ' O ' HD23 ' A' ' 13' ' ' LEU . 26.3 t -164.72 144.4 7.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.6 35.9 17.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.076 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.831 HD22 HG21 ' A' ' 17' ' ' THR . 11.8 mt -87.04 -93.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 109.23 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.52 ' OG ' ' N ' ' A' ' 15' ' ' ASP . 2.0 t 51.94 -178.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.52 ' N ' ' OG ' ' A' ' 14' ' ' SER . 11.4 t0 52.18 29.75 6.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.426 ' HA2' ' N ' ' A' ' 70' ' ' ARG . . . 57.62 47.24 89.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.4 1.062 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.831 HG21 HD22 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -61.96 93.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 110.385 -180.0 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.984 HG12 ' HB3' ' A' ' 66' ' ' SER . 1.8 t -70.73 88.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.67 HG13 HG23 ' A' ' 17' ' ' THR . 0.8 OUTLIER -100.9 166.52 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.232 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -66.46 115.87 6.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.911 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.978 HG22 HG22 ' A' ' 7' ' ' VAL . 73.4 t -115.6 139.53 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.237 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.01 164.77 26.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.85 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 85.22 -168.37 42.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.935 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.942 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . . . 148.72 -133.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 0.0 109.349 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.43 2.13 58.77 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.118 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 1.9 tp 43.6 56.44 4.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.763 . . . . 0.0 109.233 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 7.3 mm-40 -85.25 -99.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 173.69 96.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.588 1.18 . . . . 0.0 109.23 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 43.27 40.05 4.4 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.514 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 15.7 m -111.3 153.95 25.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.426 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.37 145.95 13.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.823 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 3.5 m-85 -151.69 81.03 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 53' ' ' SER . 1.2 t70 -59.16 132.45 54.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.223 -179.944 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.598 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 20.8 t -65.15 151.94 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -131.86 -162.4 10.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.7 OUTLIER 162.24 112.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.469 0.747 . . . . 0.0 110.308 179.969 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 32.7 m -130.3 178.24 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 108.313 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.856 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . . . -145.76 124.73 12.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.581 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -96.75 127.15 42.46 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.946 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.714 HG22 ' CB ' ' A' ' 91' ' ' ALA . 32.8 t -113.96 -27.88 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 0.7 OUTLIER 175.94 173.53 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.9 m -55.35 92.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.98 -12.64 45.33 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.495 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 2.2 t -95.83 39.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.246 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.946 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -96.52 98.41 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.95 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -87.61 111.54 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.432 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -84.93 162.31 19.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 108.238 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 35.2 t30 -115.53 86.97 16.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.188 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 41.57 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.531 1.806 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.445 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.72 5.58 2.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.522 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -38.37 -47.91 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 66.46 -59.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.97 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.598 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.2 m -37.1 156.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.945 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.502 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 59.9 p -167.25 145.89 4.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.925 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.957 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.2 p -151.3 -158.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.718 ' H ' HG22 ' A' ' 55' ' ' VAL . 3.2 m -139.81 171.17 14.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.823 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -90.39 174.48 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.597 1.186 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.8 p30 -128.7 120.59 26.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.543 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.62 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.5 m-20 -34.73 -46.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.372 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.563 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 125.06 6.96 6.15 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -86.23 135.63 33.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 0.802 . . . . 0.0 109.995 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.85 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -74.7 165.92 24.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.5 m -159.5 108.98 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.957 ' HB ' HG21 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.84 169.43 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.404 -179.992 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.984 ' HB3' HG12 ' A' ' 18' ' ' VAL . 4.4 m -86.92 124.86 33.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.733 ' HB2' HG21 ' A' ' 21' ' ' VAL . 10.3 mp -113.25 131.45 55.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.757 HG23 ' NE ' ' A' ' 70' ' ' ARG . 3.9 t -77.73 97.69 5.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.426 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.048 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.8 t -67.2 67.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.757 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -58.0 132.75 54.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.942 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 29.9 ttp180 -91.76 -77.76 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 5.2 t -90.7 132.56 35.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 110.016 179.932 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 85' ' ' THR . 3.7 p90 -174.59 -163.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.707 ' HA ' ' CA ' ' A' ' 84' ' ' GLY . 2.4 mt-10 -99.38 141.52 32.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' O ' ' A' ' 83' ' ' TRP . . . -152.97 -178.68 27.83 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 179.956 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.617 ' CZ ' ' CB ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -153.92 142.65 20.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 111.035 179.931 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.53 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 7.0 mp -67.89 -47.8 67.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.3 t80 . . . . . 0 C--N 1.324 -0.536 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 -179.907 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.617 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.522 ' NE1' HG11 ' A' ' 86' ' ' VAL . 6.4 t-105 -152.01 -172.81 4.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.707 ' CA ' ' HA ' ' A' ' 74' ' ' GLU . . . 119.25 -167.65 13.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.753 ' O ' HG23 ' A' ' 85' ' ' THR . 1.1 t 39.51 39.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 0.0 110.388 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.522 HG11 ' NE1' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -142.43 154.07 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.844 ' HB2' HG22 ' A' ' 89' ' ' THR . 24.2 p-10 -80.06 96.1 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 1.4 p -40.43 -31.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 108.293 -179.936 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.844 HG22 ' HB2' ' A' ' 87' ' ' ASP . 15.3 t -44.43 -25.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.512 1.132 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -67.82 -26.54 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.714 ' CB ' HG22 ' A' ' 40' ' ' VAL . . . -129.83 31.16 4.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.578 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 25.62 84.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.352 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.856 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 2.7 p -64.08 -172.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 108.297 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 4.7 pm0 -147.89 154.9 41.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.656 HG21 ' HA ' ' A' ' 69' ' ' VAL . 86.0 t -123.58 110.6 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.165 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 106' ' ' GLU . . . -128.28 167.9 20.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.458 1.099 . . . . 0.0 111.041 179.936 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 32' ' ' TYR . 4.3 mm? -91.66 154.94 18.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.11 137.18 42.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 22.7 t30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 78.56 -175.69 54.73 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 148.81 36.21 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.558 1.82 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.475 ' CG ' ' HA3' ' A' ' 96' ' ' GLY . 44.7 mp0 -99.5 -78.6 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 134.91 43.4 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.541 1.151 . . . . 0.0 111.093 -179.931 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 94' ' ' GLN . 95.6 t -105.75 72.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.0 110.36 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 1.022 HG21 HG11 ' A' ' 69' ' ' VAL . 22.0 mt -110.58 150.96 12.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.51 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -89.18 104.79 17.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.071 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.048 ' CE2' HG12 ' A' ' 69' ' ' VAL . 30.0 m-85 -95.19 126.93 40.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.072 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 32.8 t30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.995 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.464 -0.199 . . . . 0.0 110.464 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.626 ' HB3' ' HA2' ' A' ' 96' ' ' GLY . . . -92.16 166.13 12.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.784 ' HA ' HG11 ' A' ' 108' ' ' VAL . 35.6 p -145.46 148.68 33.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.896 HG22 HG22 ' A' ' 21' ' ' VAL . 3.0 t -116.13 116.62 52.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.681 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -31.68 -65.88 0.2 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.982 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.681 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.01 -88.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.783 ' H ' HD11 ' A' ' 13' ' ' LEU . 3.4 t 69.76 43.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.57 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 53.8 p -167.93 120.62 0.88 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.41 45.76 95.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.783 HD11 ' H ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -150.81 -110.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.776 ' CB ' ' CD1' ' A' ' 112' ' ' PHE . 0.6 OUTLIER 42.45 -143.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.99 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.507 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 28.3 t0 52.07 49.68 20.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.17 18.91 65.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.556 HG21 ' HB2' ' A' ' 13' ' ' LEU . 2.4 m -86.35 111.2 20.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.831 HG12 ' HB2' ' A' ' 66' ' ' SER . 2.4 t -85.01 95.78 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -106.28 166.79 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.939 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -66.21 124.59 23.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.896 HG22 HG22 ' A' ' 7' ' ' VAL . 2.4 t -124.39 126.35 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.397 1.061 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.04 152.58 42.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.886 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 106.49 -171.53 17.49 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.097 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.771 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 141.99 -154.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 0.805 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -3.62 6.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.579 1.174 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.693 HD11 ' OD1' ' A' ' 60' ' ' ASN . 35.5 tp 45.72 67.59 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 0.792 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.673 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 2.0 tp-100 -84.51 -105.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 164.55 69.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.63 67.11 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.075 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 31' ' ' ALA . 12.3 m -155.36 164.98 38.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.376 -179.904 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.408 ' N ' HG22 ' A' ' 30' ' ' THR . . . -73.08 153.55 40.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 3.8 m-85 -147.21 78.43 1.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -48.42 127.62 13.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.888 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.769 HG21 HD22 ' A' ' 67' ' ' LEU . 70.4 t -70.26 149.42 10.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.682 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -126.71 -172.66 13.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.534 1.146 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.559 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 176.22 107.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.297 -179.964 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.529 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 13.0 m -120.33 174.43 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.659 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -118.91 124.38 46.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.467 ' N ' HE22 ' A' ' 94' ' ' GLN . 0.4 OUTLIER -93.25 101.88 14.15 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.98 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.868 HG21 ' CZ2' ' A' ' 83' ' ' TRP . 59.3 t -87.25 -111.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.59 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -92.07 33.94 1.04 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.6 OUTLIER 70.66 -56.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.435 ' N ' HG22 ' A' ' 42' ' ' THR . . . -63.78 -15.61 58.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.407 1.067 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.473 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 6.2 t -124.24 120.51 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -130.5 106.33 8.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.71 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -85.13 98.19 10.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.529 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -76.34 152.96 36.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 179.942 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.656 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 45.9 t30 -113.66 91.67 21.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.528 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 18.0 Cg_endo -74.99 35.26 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -134.03 5.46 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -42.26 -45.64 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.485 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.2 OUTLIER 64.09 -56.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 51' ' ' ASP . 3.6 m -32.53 148.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.2 p -144.14 142.93 30.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.063 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.726 HG23 ' CG2' ' A' ' 65' ' ' THR . 0.8 OUTLIER -135.81 177.97 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.48 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.8 m -138.74 153.81 48.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.778 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -70.48 171.72 9.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.709 ' O ' ' C ' ' A' ' 59' ' ' ALA . 49.9 p30 -132.22 129.84 40.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.604 1.19 . . . . 0.0 109.23 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.709 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -4.61 73.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.708 ' N ' ' O ' ' A' ' 58' ' ' ASP . 13.1 t30 156.34 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.778 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 124.81 -10.75 7.92 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.492 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 48.2 t -75.93 132.81 40.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -81.1 164.74 22.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.358 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' A' ' 65' ' ' THR . 20.3 p -167.99 111.53 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 -179.952 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.726 ' CG2' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 177.49 172.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.997 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.831 ' HB2' HG12 ' A' ' 18' ' ' VAL . 77.5 p -85.0 124.07 31.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.886 ' HB2' HG21 ' A' ' 21' ' ' VAL . 21.3 mt -119.0 139.7 51.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.67 ' HB ' HG22 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -85.36 113.2 21.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.378 -179.979 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.671 HG11 ' HB ' ' A' ' 110' ' ' ILE . 2.0 t -87.51 61.72 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.641 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -48.4 127.05 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.24 -179.956 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.642 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 1.3 ttm180 -87.25 -76.24 0.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.4 t -74.15 107.06 6.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.056 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.656 ' CE2' ' HB2' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -151.37 -164.72 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.592 ' N ' ' CD2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -124.73 119.83 30.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.469 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -123.65 149.52 16.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.618 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 13.7 p90 -102.54 130.75 49.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 0.811 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.634 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 7.5 mp -43.0 -65.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 -179.913 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.868 ' CZ2' HG21 ' A' ' 40' ' ' VAL . 39.7 m95 -73.2 -62.27 1.53 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 -180.0 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.538 ' HA2' ' CB ' ' A' ' 74' ' ' GLU . . . 82.18 139.31 3.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.767 ' O ' HG23 ' A' ' 85' ' ' THR . 1.4 t 29.91 41.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 84' ' ' GLY . 2.4 p -97.84 146.63 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 179.965 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.586 ' HB2' HG22 ' A' ' 89' ' ' THR . 2.6 p30 -79.24 114.64 18.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.942 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 5.1 m -65.03 -37.45 87.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.332 179.967 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.586 HG22 ' HB2' ' A' ' 87' ' ' ASP . 4.7 t -48.89 -25.76 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -78.72 -20.08 50.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.393 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.593 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -133.48 26.67 4.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.593 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 23.81 77.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 58.5 m -58.56 174.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 179.984 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 4.9 pm0 -135.02 157.36 47.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 35' ' ' GLY . 7.3 p -131.13 107.95 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.626 ' HA2' ' HB3' ' A' ' 5' ' ' ALA . . . -122.22 165.5 15.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.436 1.085 . . . . 0.0 111.065 179.973 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.623 ' CD2' ' HB2' ' A' ' 5' ' ' ALA . 1.3 mm? -88.57 151.16 22.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.4 t -146.78 123.93 11.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.574 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 -179.994 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.523 ' OD1' ' N ' ' A' ' 104' ' ' GLY . 1.3 p30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 126.44 -149.76 17.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -169.89 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.562 1.822 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 94' ' ' GLN . 2.3 mp0 -71.13 -141.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -131.53 -56.85 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.784 HG11 ' HA ' ' A' ' 6' ' ' THR . 5.9 p -169.51 150.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.08 116.96 27.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 179.986 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.718 HG23 ' HA ' ' A' ' 10' ' ' SER . 1.5 mp -96.83 139.89 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.235 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.498 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -80.53 106.31 12.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.95 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.776 ' CD1' ' CB ' ' A' ' 14' ' ' SER . 0.8 OUTLIER -83.11 25.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 111.052 179.99 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.976 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.569 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . -98.35 158.15 15.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.631 ' O ' HG13 ' A' ' 21' ' ' VAL . 77.9 p -140.23 154.53 46.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.007 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.9 t -116.45 136.11 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.553 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.69 -59.32 0.75 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.411 179.973 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.007 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.09 -177.9 3.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.451 1.764 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 110' ' ' ILE . 8.8 p -140.52 -21.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 111' ' ' SER . 82.5 p -176.24 174.21 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 70.73 25.2 76.12 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.061 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 9' ' ' PRO . 4.7 mt -84.6 -150.01 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.6 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 2.0 t -152.64 140.85 20.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.51 ' CA ' ' HG2' ' A' ' 71' ' ' ARG . 62.6 t0 -42.47 117.51 1.03 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.411 ' HA2' ' OG1' ' A' ' 68' ' ' THR . . . 85.56 31.65 21.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.674 HG21 HD13 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -77.16 96.08 4.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 110.328 -179.917 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.998 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.4 t -87.22 86.49 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.709 HG23 ' CG1' ' A' ' 7' ' ' VAL . 2.9 m -110.67 162.41 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -53.76 138.61 35.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 -179.958 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.809 ' CG2' HG13 ' A' ' 7' ' ' VAL . 46.2 t -141.65 121.37 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -121.98 150.32 42.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.964 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.734 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 109.31 173.57 21.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 179.956 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 158.36 -155.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.11 -1.65 7.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.488 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 12.6 tp 52.47 67.03 1.05 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.421 0.718 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.519 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 9.2 mm-40 -92.3 -101.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 178.4 96.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 37.8 39.92 0.68 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.429 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -109.43 157.62 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.378 -179.95 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.35 147.1 8.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.887 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 2.0 m-85 -151.32 82.07 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 98' ' ' SER . 1.8 t70 -59.16 127.87 34.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.776 HG22 HD13 ' A' ' 67' ' ' LEU . 64.5 t -58.83 159.09 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.58 147.03 16.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.664 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -138.93 119.29 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.497 ' HB3' HD21 ' A' ' 45' ' ' LEU . 22.2 m -129.56 -178.18 4.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 108.319 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -147.77 123.98 10.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.81 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -98.33 133.2 43.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 107.969 -179.996 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.591 HG12 ' N ' ' A' ' 41' ' ' ASP . 58.8 t -123.65 -111.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.591 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -62.4 179.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.578 1.174 . . . . 0.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.8 m -68.74 90.96 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.74 -5.88 51.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.554 1.158 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 25.1 t -91.75 70.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.761 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.81 HD12 ' HB2' ' A' ' 39' ' ' TRP . 2.7 tt -117.03 112.79 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.508 ' HB1' ' N ' ' A' ' 76' ' ' PHE . . . -92.01 133.07 36.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -96.94 154.74 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 108.288 179.988 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.668 ' CG ' ' CD2' ' A' ' 73' ' ' PHE . 1.9 t-20 -114.85 89.73 20.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.591 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 18.2 Cg_endo -75.09 42.07 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.56 1.821 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.32 2.55 3.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -40.63 -50.99 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.981 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 74.65 -58.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.996 -179.941 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.648 ' HB3' HG21 ' A' ' 34' ' ' VAL . 2.4 m -36.35 152.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.968 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.443 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 10.7 p -159.45 144.13 15.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 109.962 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.87 HG21 ' CG2' ' A' ' 65' ' ' THR . 2.1 p -147.05 -156.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.707 ' H ' HG22 ' A' ' 55' ' ' VAL . 3.2 m -139.75 170.22 16.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.887 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -91.74 177.79 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.653 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.0 p30 -131.03 119.6 22.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.536 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.89 -88.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.923 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.653 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.1 m-20 -34.91 -46.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.592 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 125.63 5.88 6.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 5.0 m -88.55 139.84 30.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -69.24 166.36 18.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 65' ' ' THR . 9.0 p -165.24 99.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.87 ' CG2' HG21 ' A' ' 55' ' ' VAL . 12.2 t -177.39 165.27 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 13.1 m -84.23 109.08 17.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.776 HD13 HG22 ' A' ' 34' ' ' VAL . 17.1 mt -104.98 152.07 23.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.998 ' HB ' HG22 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -96.66 114.49 26.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.347 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.867 HG13 ' CG1' ' A' ' 95' ' ' VAL . 1.1 t -86.78 57.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.918 ' NE ' HG23 ' A' ' 68' ' ' THR . 3.1 mtm180 -43.35 129.29 4.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.628 ' HA ' ' HB3' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -79.37 -75.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -180.0 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.602 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -58.56 100.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.984 -179.986 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.668 ' CD2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -137.86 152.3 48.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 179.992 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -87.31 98.3 11.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 179.958 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.425 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -69.47 121.68 11.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.547 1.155 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.591 ' CD1' ' HD2' ' A' ' 49' ' ' PRO . 92.2 m-85 -102.71 123.51 46.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 110.998 -179.94 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.568 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.2 mt -25.5 -75.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.9 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.99 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 1.161 ' CZ3' HG21 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -99.0 -89.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.989 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 81.68 111.36 0.38 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.748 HG22 ' O ' ' A' ' 85' ' ' THR . 0.7 OUTLIER 31.61 86.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.412 -179.947 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 1.161 HG21 ' CZ3' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -139.5 169.26 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.419 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.2 OUTLIER -90.03 119.58 30.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.628 ' HB3' ' HA ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -59.79 -46.39 89.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 108.263 -179.992 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 t -49.9 -23.02 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.437 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -88.06 -22.27 24.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.085 . . . . 0.0 110.383 -179.952 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.537 ' HB2' ' CZ2' ' A' ' 83' ' ' TRP . . . -119.04 17.17 13.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.173 . . . . 0.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 36.9 50.45 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -50.77 -178.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 108.269 -179.961 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.455 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 13.4 pm0 -147.39 160.78 42.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 179.982 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.867 ' CG1' HG13 ' A' ' 69' ' ' VAL . 10.4 p -133.82 101.19 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.468 ' CA ' ' HA3' ' A' ' 107' ' ' GLY . . . -111.32 -164.75 18.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.59 HD12 ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -105.67 153.95 21.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -139.29 153.74 47.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.98 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.361 179.908 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.97 65.29 3.64 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -167.25 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.4 ' O ' ' HA3' ' A' ' 96' ' ' GLY . 0.2 OUTLIER 69.31 165.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.343 179.962 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.468 ' HA3' ' CA ' ' A' ' 96' ' ' GLY . . . -178.83 -75.37 0.06 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.657 HG11 HG23 ' A' ' 7' ' ' VAL . 13.3 p -170.78 128.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 0.773 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -83.01 120.49 25.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.96 HD11 ' HB ' ' A' ' 7' ' ' VAL . 16.7 mt -115.66 147.97 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.574 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -111.59 124.49 52.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.965 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.802 ' CZ ' ' O ' ' A' ' 69' ' ' VAL . 3.1 m-85 -102.12 131.09 48.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.969 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 24' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 . . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.437 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -100.33 161.44 13.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.963 ' O ' HG13 ' A' ' 21' ' ' VAL . 78.4 p -148.26 154.85 40.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.951 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.887 HG13 HG22 ' A' ' 21' ' ' VAL . 1.9 t -99.39 152.72 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.501 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -55.27 -56.53 27.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.477 179.957 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.886 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.97 161.7 38.41 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.483 1.78 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.541 ' C ' HG23 ' A' ' 110' ' ' ILE . 3.8 m -133.89 4.97 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 179.963 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 111' ' ' SER . 89.7 p -176.32 157.84 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 109.976 179.957 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 13' ' ' LEU . . . 65.87 38.17 94.03 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.447 1.092 . . . . 0.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.922 HD11 ' CG2' ' A' ' 110' ' ' ILE . 53.4 mt -61.39 -142.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.9 t -171.13 151.56 3.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.422 ' HA ' ' HG3' ' A' ' 71' ' ' ARG . 6.1 p-10 -56.35 88.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.068 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 89.45 43.9 5.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.872 HG21 ' HB3' ' A' ' 13' ' ' LEU . 2.2 t -74.9 89.23 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 0.778 . . . . 0.0 110.365 179.947 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.59 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.3 t -78.82 81.18 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.916 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.634 ' CG2' HG12 ' A' ' 7' ' ' VAL . 10.3 m -101.11 177.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -72.09 139.58 48.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.963 HG13 ' O ' ' A' ' 6' ' ' THR . 86.4 t -141.96 137.45 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -136.18 160.81 37.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.874 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 104.51 171.09 24.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 156.55 -157.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.46 -0.84 5.13 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.432 1.083 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.569 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER 49.83 55.65 9.08 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.485 0.756 . . . . 0.0 109.353 179.96 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.511 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.4 mm-40 -81.97 -98.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 175.08 87.95 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.452 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 56.08 16.08 12.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.2 m -83.74 152.02 24.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 0.734 . . . . 0.0 110.346 -179.956 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -58.63 145.71 38.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.677 ' O ' HG12 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -148.19 80.13 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.97 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -47.31 137.03 8.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.544 HG22 HD21 ' A' ' 67' ' ' LEU . 16.2 t -78.72 139.98 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.16 135.77 9.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.524 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 1.5 tp60 -134.47 111.87 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 34.0 m -127.46 -174.43 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.601 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -144.4 101.24 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.542 ' HB2' HD12 ' A' ' 45' ' ' LEU . 6.0 t90 -84.75 134.65 34.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 107.945 -179.991 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.925 ' CG2' ' HB1' ' A' ' 91' ' ' ALA . 75.5 t -126.25 -40.22 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.418 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 2.1 m-20 -169.31 179.98 3.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 64.8 m -58.46 93.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.378 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.8 -10.17 52.29 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.478 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.1 t -98.32 44.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.597 ' C ' HD23 ' A' ' 45' ' ' LEU . 5.9 tt -114.26 94.3 4.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.08 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.642 ' HB1' ' C ' ' A' ' 75' ' ' GLY . . . -84.11 122.55 28.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.542 ' HB2' ' CG ' ' A' ' 78' ' ' PHE . 1.1 m -89.22 161.78 16.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.486 1.116 . . . . 0.0 108.287 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 45.9 t30 -117.74 80.79 14.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 18.0 Cg_endo -75.09 36.76 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 110.935 -179.89 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.625 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -130.13 -0.41 4.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.585 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -61.41 -63.39 1.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.625 ' CE2' ' O ' ' A' ' 50' ' ' ALA . 9.1 m-85 77.39 -30.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.538 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 18.7 m -35.68 149.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.028 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 t -144.31 145.79 32.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.994 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 32' ' ' TYR . 7.4 p -135.14 169.02 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.562 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.4 m -128.59 142.06 51.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.372 1.045 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -68.68 171.5 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.9 p30 -132.29 121.12 23.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.529 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.69 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.651 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.8 m120 -37.57 -45.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.569 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 127.88 -0.43 6.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.945 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.472 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -78.87 140.12 38.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 0.746 . . . . 0.0 109.994 179.95 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.874 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -72.12 159.42 34.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' A' ' 65' ' ' THR . 24.9 p -161.31 105.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 -179.934 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.58 ' HB ' HG23 ' A' ' 55' ' ' VAL . 2.2 t -177.88 174.82 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 4.5 m -90.26 116.04 27.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.685 ' HB2' HG21 ' A' ' 21' ' ' VAL . 9.8 mp -105.02 142.93 33.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.664 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 1.8 t -91.56 99.97 12.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.776 HG12 ' CE2' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -78.35 66.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.664 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -62.44 141.2 58.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.252 -179.972 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.614 ' HB3' ' CD2' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -110.26 -71.08 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.18 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.422 ' H ' ' HG3' ' A' ' 71' ' ' ARG . 0.3 OUTLIER -62.07 103.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.017 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.654 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -156.08 -160.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.183 . . . . 0.0 110.947 -179.992 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.463 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -117.0 103.05 9.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.642 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -67.16 121.65 16.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.922 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.593 ' O ' ' C ' ' A' ' 77' ' ' LEU . 75.7 m-85 -97.54 119.94 37.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 0.8 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.593 ' C ' ' O ' ' A' ' 76' ' ' PHE . 1.1 mt -23.04 -78.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.542 ' CG ' ' HB2' ' A' ' 47' ' ' CYS . 20.9 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.923 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.434 ' HB2' HD21 ' A' ' 77' ' ' LEU . 12.6 ttt180 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -100.81 -106.47 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -179.963 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.687 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 121.72 -149.13 17.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.6 m -50.54 75.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.758 . . . . 0.0 110.399 -179.978 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.687 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.5 OUTLIER -141.12 163.94 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.606 ' HB2' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -89.37 121.87 32.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.961 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.654 ' SG ' ' CZ ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -59.71 -30.42 68.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 108.273 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.606 HG22 ' HB2' ' A' ' 87' ' ' ASP . 1.8 t -50.84 -17.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -92.72 -15.25 26.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.925 ' HB1' ' CG2' ' A' ' 40' ' ' VAL . . . -126.9 12.46 7.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 42.37 89.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.612 ' CB ' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -62.69 -176.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 108.308 -179.924 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.511 ' OE1' ' CA ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -159.22 142.52 14.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.342 -179.929 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 1.013 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.2 p -132.86 123.64 49.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.364 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.458 ' HA3' ' HA2' ' A' ' 107' ' ' GLY . . . -143.0 -166.51 11.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.918 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -82.07 156.41 24.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.742 . . . . 0.0 109.291 -179.948 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.88 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -156.33 119.2 4.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.568 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.568 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 90.8 -170.74 35.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 118.86 5.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.924 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.91 31.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.458 ' HA2' ' HA3' ' A' ' 96' ' ' GLY . . . -92.54 153.52 21.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 1.013 HG12 ' O ' ' A' ' 95' ' ' VAL . 13.6 p -81.59 114.36 22.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -66.32 113.97 5.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.143 . . . . 0.0 109.38 179.927 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.922 ' CG2' HD11 ' A' ' 13' ' ' LEU . 95.8 mt -121.83 154.19 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.512 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -84.37 117.97 23.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 -179.984 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.776 ' CE2' HG12 ' A' ' 69' ' ' VAL . 23.2 m-85 -98.11 127.37 44.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.449 ' OD1' ' NH2' ' A' ' 71' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.926 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.472 -0.195 . . . . 0.0 110.472 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . . . -98.72 168.75 9.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.444 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 26.6 p -151.63 157.49 42.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 179.989 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.847 HG22 HG23 ' A' ' 21' ' ' VAL . 13.9 t -105.71 119.25 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.696 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -33.46 -66.57 0.21 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.409 179.962 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.696 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.96 -163.86 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.525 ' HA ' HD13 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -161.82 36.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.996 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.766 ' OG ' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -140.74 94.27 2.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.04 179.989 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.67 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -71.48 -0.1 36.86 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.41 1.069 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.766 HD21 ' OG ' ' A' ' 11' ' ' SER . 4.5 mt -13.54 -63.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.777 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.5 t -75.83 96.24 3.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 110.04 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.482 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 7.3 p-10 -45.02 108.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.65 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 92.2 32.74 8.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.435 1.084 . . . . 0.0 110.96 179.927 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.492 HG21 ' HA2' ' A' ' 12' ' ' GLY . 1.3 t -74.8 95.13 2.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 0.752 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.609 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.2 t -68.15 75.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.8 OUTLIER -82.14 165.37 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 65' ' ' THR . 8.9 tttt -62.94 135.81 57.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.847 HG23 HG22 ' A' ' 7' ' ' VAL . 1.1 t -127.76 142.15 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.918 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.76 148.58 33.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.864 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 97.69 -171.75 26.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.937 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.763 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 145.18 -155.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 0.787 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.29 -3.42 3.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.477 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 46.99 66.56 0.97 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 0.765 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.686 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 67.1 tp60 -76.77 -99.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 163.0 46.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.06 71.53 1.0 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.443 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -156.81 158.41 36.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.787 . . . . 0.0 110.341 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.54 151.08 21.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.711 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 2.8 m-85 -148.68 79.2 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.6 OUTLIER -56.59 131.37 48.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.593 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 2.6 t -66.38 161.57 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.563 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -138.13 -171.97 12.38 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.573 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 174.25 115.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 0.807 . . . . 0.0 110.258 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.553 ' O ' ' HB3' ' A' ' 93' ' ' CYS . 5.1 m -122.76 171.5 9.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 108.341 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.526 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -141.55 165.63 26.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.618 ' HE1' ' NE2' ' A' ' 94' ' ' GLN . 21.0 m95 -118.59 121.36 40.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.008 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.542 HG21 ' CG ' ' A' ' 83' ' ' TRP . 10.3 t -88.76 -127.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.947 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.695 ' O ' HG22 ' A' ' 42' ' ' THR . 3.9 t0 -114.11 145.45 41.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 1.006 HG22 HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER 81.2 19.83 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.446 -179.973 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.05 0.62 89.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 1.006 HG23 HG22 ' A' ' 42' ' ' THR . 4.6 t -49.14 142.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.561 HD12 ' CZ2' ' A' ' 39' ' ' TRP . 2.9 tt -134.67 106.12 6.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.461 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -102.82 126.2 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 1.3 m -91.46 156.34 17.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.347 1.029 . . . . 0.0 108.24 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.769 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 16.6 t-20 -107.6 97.66 20.91 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -74.97 36.22 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.454 1.765 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.75 8.27 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -36.57 -41.42 0.3 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.41 -61.82 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.934 179.985 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.593 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 4.3 m -35.48 151.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 52.9 p -158.35 143.99 16.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.956 HG21 ' CG2' ' A' ' 65' ' ' THR . 0.6 OUTLIER -146.4 -162.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.966 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.699 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.2 m -146.32 163.97 33.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.941 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.711 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -73.87 -179.84 3.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.702 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.5 p30 -137.02 134.35 36.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.702 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.41 80.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.662 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.2 t30 148.51 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.584 1.177 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.635 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 121.15 -8.1 10.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -75.9 134.81 40.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 0.783 . . . . 0.0 109.979 -179.978 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.864 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -81.62 161.78 23.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.511 ' O ' ' HB ' ' A' ' 65' ' ' THR . 98.3 p -163.25 117.36 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.956 ' CG2' HG21 ' A' ' 55' ' ' VAL . 3.1 t 177.46 -128.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.566 ' N ' ' OG1' ' A' ' 65' ' ' THR . 23.5 m -151.76 135.68 16.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.0 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.769 HD22 HG21 ' A' ' 21' ' ' VAL . 6.6 mp -118.1 136.09 53.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.227 -179.952 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.609 ' HB ' HG22 ' A' ' 18' ' ' VAL . 8.8 t -80.65 105.34 11.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.199 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.9 t -77.04 63.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.65 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -49.57 126.52 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.59 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 10.6 ttm180 -67.01 -76.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.461 ' HA ' ' N ' ' A' ' 87' ' ' ASP . 16.5 p -57.3 118.32 4.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 179.953 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.769 ' CZ ' ' HB2' ' A' ' 48' ' ' ASN . 6.9 t80 -119.06 138.81 52.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.508 ' HA ' ' HA3' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -148.26 68.09 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.02 -161.15 28.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.573 1.171 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 5.8 t80 -129.49 152.0 49.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.918 HD12 ' CZ2' ' A' ' 83' ' ' TRP . 1.6 mt -60.56 -53.54 56.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.612 ' C ' ' CG ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.918 ' CZ2' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -171.8 -82.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 0.0 108.047 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.634 ' O ' ' HB3' ' A' ' 73' ' ' PHE . . . 70.01 0.79 29.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.597 HG21 ' HB3' ' A' ' 91' ' ' ALA . 12.0 t 37.55 29.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.783 HG13 ' N ' ' A' ' 87' ' ' ASP . 5.1 p 31.03 -139.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.783 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -22.75 94.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.753 ' O ' ' N ' ' A' ' 92' ' ' ALA . 19.9 m -41.59 -44.94 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 108.342 -179.996 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.713 HG21 ' C ' ' A' ' 113' ' ' ASN . 0.2 OUTLIER -39.18 -27.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 179.967 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 88' ' ' CYS . 4.8 m -67.64 -28.59 67.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.778 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . -135.82 -40.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.778 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 94.12 67.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 37' ' ' CYS . 1.8 m -52.36 -176.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 108.364 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.618 ' NE2' ' HE1' ' A' ' 39' ' ' TRP . 17.8 pm0 -131.26 156.07 46.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.573 HG23 ' HG2' ' A' ' 36' ' ' GLN . 3.3 p -132.18 128.01 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -140.92 -170.83 12.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.731 HD21 HG12 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -109.5 156.0 20.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 1.2 t -137.02 157.56 46.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.99 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.415 ' OD1' ' HB2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.415 ' HB2' ' OD1' ' A' ' 99' ' ' ASP . 2.1 m-80 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.1 140.77 43.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -90.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 60.4 51.7 5.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 -179.954 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.28 -102.48 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.43 1.081 . . . . 0.0 111.039 179.931 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.439 HG11 ' H ' ' A' ' 7' ' ' VAL . 4.9 p -169.05 134.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.5 113.61 9.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 1.003 HG21 HG11 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -103.5 154.28 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 12' ' ' GLY . 59.3 m -94.1 100.17 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.043 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 1.199 ' CE2' HG12 ' A' ' 69' ' ' VAL . 32.9 m-85 -86.37 171.49 11.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.94 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.713 ' C ' HG21 ' A' ' 89' ' ' THR . 40.3 t30 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.853 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -78.77 -54.78 1.06 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.948 ' O ' HG23 ' A' ' 4' ' ' THR . 18.1 Cg_endo -75.01 102.07 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.948 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -178.55 147.65 0.41 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 110.446 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 97' ' ' LEU . . . -98.44 156.76 16.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.739 ' O ' HG13 ' A' ' 21' ' ' VAL . 26.5 p -151.62 157.15 41.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.001 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.1 t -109.75 136.63 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.544 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.62 -58.78 0.98 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.001 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -74.99 175.58 11.04 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.558 1.82 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.452 ' HA ' HG12 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -159.09 16.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.623 1.202 . . . . 0.0 110.009 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 111' ' ' SER . 20.4 p 167.56 159.12 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.441 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 65.77 35.82 91.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.897 HD12 HG11 ' A' ' 69' ' ' VAL . 4.6 mt -93.8 -149.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 109.3 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -150.92 168.1 25.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.586 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 13.4 p-10 -63.59 94.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.613 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 95.84 35.94 5.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.558 1.161 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -66.32 80.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.487 0.757 . . . . 0.0 110.437 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 16' ' ' GLY . 6.2 t -72.21 96.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.421 1.076 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.849 HG21 ' CG ' ' A' ' 9' ' ' PRO . 33.4 m -120.32 178.82 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -65.99 140.33 58.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.039 HG11 HD22 ' A' ' 67' ' ' LEU . 73.7 t -143.16 141.22 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.39 1.056 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -145.98 154.54 42.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.854 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 109.67 171.96 20.5 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.538 1.149 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.49 -163.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.28 -6.84 2.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.559 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 54.87 59.7 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.527 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 20.7 mm-40 -86.8 -98.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.492 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 176.17 93.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.54 17.7 13.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.075 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.0 m -81.5 164.14 22.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 0.809 . . . . 0.0 110.457 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.4 145.89 29.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.541 ' CD1' HD23 ' A' ' 97' ' ' LEU . 3.7 m-85 -143.75 77.12 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.976 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -45.52 117.83 1.56 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.16 . . . . 0.0 109.332 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.626 HG21 ' HG ' ' A' ' 67' ' ' LEU . 73.6 t -58.43 153.73 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.98 153.57 24.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.552 ' HG3' HG23 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -146.15 119.78 9.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 110.35 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.512 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 19.6 m -123.12 178.23 5.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 108.284 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.837 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -128.6 108.33 10.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -87.43 111.78 21.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 107.998 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 41' ' ' ASP . 83.9 t -100.54 -106.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.648 ' N ' HG12 ' A' ' 40' ' ' VAL . 8.4 t0 -89.16 39.43 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.428 ' HB ' ' O ' ' A' ' 41' ' ' ASP . 1.1 m 65.79 -66.02 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 110.43 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -63.66 -14.17 53.91 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.619 ' HA ' HD11 ' A' ' 77' ' ' LEU . 2.9 t -115.9 93.66 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.412 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 8.1 tt -120.98 107.72 13.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.718 ' HB3' ' HD1' ' A' ' 83' ' ' TRP . . . -94.66 102.04 13.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.512 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -74.89 157.29 35.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 108.254 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.602 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 7.5 t-20 -114.2 91.06 21.98 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 41.26 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.443 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -134.58 2.85 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.416 1.073 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.483 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -45.7 -56.1 5.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.476 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.95 -55.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.956 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.489 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.9 m -31.89 149.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 55.3 p -141.7 131.67 24.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.948 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.588 HG23 ' HB ' ' A' ' 65' ' ' THR . 6.3 p -115.77 145.95 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.432 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.6 m -104.94 146.53 28.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -79.62 166.25 22.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.5 p30 -126.57 120.33 29.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.632 1.207 . . . . 0.0 109.247 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.06 -89.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.619 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.1 t-20 -36.57 -46.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.559 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.14 1.32 6.27 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.459 1.1 . . . . 0.0 111.059 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -79.11 132.89 36.73 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.443 0.731 . . . . 0.0 110.014 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.854 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -65.16 159.21 24.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.0 p -162.31 106.21 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.958 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.658 HG23 ' N ' ' A' ' 66' ' ' SER . 0.5 OUTLIER 178.1 -177.92 0.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.433 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.658 ' N ' HG23 ' A' ' 65' ' ' THR . 0.8 OUTLIER -94.02 124.82 38.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.998 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.039 HD22 HG11 ' A' ' 21' ' ' VAL . 5.1 mp -114.54 141.16 48.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.701 HG23 ' NE ' ' A' ' 70' ' ' ARG . 5.1 t -82.26 110.26 17.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.897 HG11 HD12 ' A' ' 13' ' ' LEU . 4.6 t -84.61 63.7 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.701 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -37.18 154.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.705 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 4.4 tmm_? -110.82 -63.87 1.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.463 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 97.0 p -117.8 145.44 44.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.932 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 52.3 p90 -178.89 -165.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.563 1.164 . . . . 0.0 110.955 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HA ' ' C ' ' A' ' 84' ' ' GLY . 2.6 pt-20 -111.95 117.4 32.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -113.88 172.87 14.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 82' ' ' ARG . 1.5 t80 -149.81 140.31 22.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 111.076 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.637 ' O ' ' HB2' ' A' ' 78' ' ' PHE . 4.3 mm? -49.8 -70.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.637 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 67.8 t80 170.09 -28.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.969 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 t0 173.18 52.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.02 -63.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.436 1.085 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.473 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 23.0 m -125.27 165.57 18.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.75 . . . . 0.0 110.401 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 76' ' ' PHE . 32.7 ttp180 -131.89 135.9 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.718 ' HD1' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -65.88 -78.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 107.977 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 124.25 161.8 11.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.685 HG22 ' O ' ' A' ' 85' ' ' THR . 1.3 m -65.54 68.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 0.781 . . . . 0.0 110.347 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.558 HG22 ' H ' ' A' ' 87' ' ' ASP . 8.5 p -126.32 172.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.558 ' H ' HG22 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -65.58 136.8 56.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.614 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -95.0 -22.83 17.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 108.281 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.423 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 2.5 t -52.33 -23.77 6.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.91 -22.78 49.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.513 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -115.08 18.12 16.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 35.42 69.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.837 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -51.63 -179.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.293 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.514 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 15.7 pm0 -148.69 150.95 34.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.553 ' CG1' HG21 ' A' ' 7' ' ' VAL . 12.6 p -131.74 121.72 48.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.426 ' HA3' ' CG ' ' A' ' 106' ' ' GLU . . . -138.62 -174.21 13.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.467 1.105 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.863 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -83.35 145.44 29.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.751 . . . . 0.0 109.357 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.863 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -137.24 137.15 38.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.434 ' OD1' ' CB ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -98.35 176.07 5.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.52 9.1 5.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -113.15 -12.24 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.242 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 68.55 44.56 71.6 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.48 ' O ' ' O ' ' A' ' 102' ' ' GLY . 9.3 p-10 -48.3 -179.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 0.741 . . . . 0.0 109.242 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -42.43 167.94 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.594 1.184 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.3 22.92 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.535 1.808 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.426 ' CG ' ' HA3' ' A' ' 96' ' ' GLY . 27.5 mm-40 -80.64 -156.81 0.14 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.113 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.27 29.38 0.11 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.408 1.068 . . . . 0.0 111.061 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.76 ' O ' HG12 ' A' ' 108' ' ' VAL . 2.7 t -105.03 78.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.34 104.73 5.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.554 HG21 ' CD1' ' A' ' 13' ' ' LEU . 1.8 mt -109.34 141.33 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.457 ' HB3' ' CB ' ' A' ' 11' ' ' SER . 0.9 OUTLIER -85.38 108.17 17.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.916 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.791 ' CE1' HG12 ' A' ' 69' ' ' VAL . 12.9 m-30 -85.89 145.09 27.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 112' ' ' PHE . 62.0 t30 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.624 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.884 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . 167.26 -55.55 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.269 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.884 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -74.94 69.4 5.51 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.504 1.792 . . . . 0.0 111.047 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 3' ' ' PRO . 1.1 p -163.62 150.89 12.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.424 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.462 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -100.55 168.74 9.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.918 ' O ' HG13 ' A' ' 21' ' ' VAL . 16.7 p -151.8 157.91 42.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.033 HG12 ' HD2' ' A' ' 9' ' ' PRO . 10.0 t -100.01 119.74 48.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.579 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -27.79 -60.34 0.21 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.393 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.033 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.07 -91.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.493 1.786 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.698 ' HA ' HG23 ' A' ' 110' ' ' ILE . 2.2 p 89.83 24.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.036 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.546 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 87.5 p -176.17 157.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.078 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.14 41.71 47.09 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.715 HD21 ' HB2' ' A' ' 9' ' ' PRO . 52.7 mt -99.74 -145.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.48 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.6 t -162.52 162.44 27.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.503 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 6.7 p-10 -57.32 98.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.474 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 94.1 39.3 4.88 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.655 HG21 ' HB3' ' A' ' 13' ' ' LEU . 2.9 m -80.77 91.33 5.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.8 t -71.24 90.72 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -108.66 172.27 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -77.08 143.11 39.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.918 HG13 ' O ' ' A' ' 6' ' ' THR . 91.0 t -137.15 138.66 45.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -137.8 157.1 47.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.775 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 101.67 -179.74 27.89 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.471 1.107 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 150.61 -160.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.46 ' HA2' ' CA ' ' A' ' 3' ' ' PRO . . . -61.79 -1.24 2.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.566 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.4 tp 47.86 62.59 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 0.804 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 6.6 mm-40 -89.97 -99.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.235 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 178.22 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.469 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 58.39 13.95 18.18 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 31' ' ' ALA . 20.0 m -74.29 165.3 25.42 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.53 0.782 . . . . 0.0 110.356 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.42 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -86.03 146.98 26.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.698 ' HD2' ' HB2' ' A' ' 63' ' ' ALA . 7.6 m-85 -143.19 77.68 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -50.66 122.59 7.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.615 HG12 ' OD2' ' A' ' 51' ' ' ASP . 97.0 t -65.2 149.55 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.78 145.31 15.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.613 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -130.19 113.58 14.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 0.742 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 4.6 m -124.87 169.2 12.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 108.274 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.47 104.89 4.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.072 . . . . 0.0 109.343 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.448 ' CD1' ' O ' ' A' ' 39' ' ' TRP . 0.1 OUTLIER -77.59 119.86 21.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 107.978 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.682 HG11 ' CZ2' ' A' ' 83' ' ' TRP . 16.4 t -109.97 -27.4 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.413 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -177.88 172.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.4 m -54.71 90.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . 102.31 -6.85 53.63 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.456 1.098 . . . . 0.0 110.957 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.413 ' HB ' ' N ' ' A' ' 41' ' ' ASP . 2.7 t -98.42 39.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 105' ' ' PRO . 0.6 OUTLIER -98.55 111.54 23.87 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.925 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -86.57 100.0 12.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.376 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.504 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -82.35 145.43 29.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 108.303 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.613 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 30.6 t30 -116.09 80.38 9.24 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.99 26.47 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 110.996 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.614 ' O ' ' CG ' ' A' ' 52' ' ' PHE . . . -114.26 0.51 14.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.615 ' OD2' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -48.71 -42.87 36.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 50' ' ' ALA . 9.1 m-85 70.12 -49.22 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.451 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -35.13 151.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 t -151.03 138.45 19.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.908 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.017 HG23 ' HB ' ' A' ' 65' ' ' THR . 10.3 p -122.91 149.39 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 57' ' ' ALA . 1.3 m -106.31 148.76 27.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.35 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.508 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -77.2 171.12 15.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.9 p30 -132.2 121.06 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.512 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.35 -89.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.1 t-20 -36.98 -44.77 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.566 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.68 0.47 7.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.122 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.445 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 8.6 m -77.06 135.81 38.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 0.731 . . . . 0.0 109.955 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.38 157.1 29.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.083 . . . . 0.0 109.35 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.407 ' O ' ' HB ' ' A' ' 65' ' ' THR . 21.5 p -155.89 110.68 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 1.017 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.94 166.74 1.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.4 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 10.0 p -88.73 127.88 35.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.697 HD22 HG11 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -110.2 144.86 38.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.703 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 9.1 t -84.77 99.65 11.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.39 1.056 . . . . 0.0 110.386 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.966 HG12 ' CE2' ' A' ' 112' ' ' PHE . 19.8 t -72.34 63.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.216 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.703 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.1 OUTLIER -63.21 129.72 41.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.503 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 5.1 tmm_? -89.46 -72.54 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 89.4 p -70.55 96.85 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.98 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.602 ' CE2' ' HB2' ' A' ' 48' ' ' ASN . 4.2 p90 -138.1 156.53 47.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -92.22 98.73 11.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.605 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -97.91 150.44 19.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 5.0 m-85 -119.13 136.28 54.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 0.732 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 5.8 mp -55.55 -49.77 71.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.496 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER 75.05 15.49 2.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.967 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.93 21.9 0.51 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.406 ' C ' ' OG1' ' A' ' 81' ' ' THR . . . 179.97 -61.22 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.477 1.11 . . . . 0.0 110.945 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.728 HG22 ' H ' ' A' ' 82' ' ' ARG . 7.9 m -157.08 -147.85 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.321 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.728 ' H ' HG22 ' A' ' 81' ' ' THR . 0.1 OUTLIER -140.33 150.75 44.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.925 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 45.4 m95 -77.62 -66.68 0.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 0.0 107.974 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.575 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 87.95 126.87 2.52 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 85' ' ' THR . 0.8 OUTLIER 23.86 81.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 110.327 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.7 p -128.67 150.77 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -80.96 118.31 22.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.249 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.67 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -63.96 -40.11 95.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 108.354 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.0 t -54.18 -24.51 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.435 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.3 m -82.95 -19.62 36.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.398 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.537 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -126.67 23.13 6.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 30.11 56.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.423 1.077 . . . . 0.0 109.253 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.593 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 1.6 p -51.83 -175.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 108.241 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.495 ' CB ' ' C ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -146.49 159.19 43.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.34 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.922 HG12 HD12 ' A' ' 110' ' ' ILE . 3.1 p -135.21 98.27 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.491 ' HA3' ' CB ' ' A' ' 106' ' ' GLU . . . -116.18 177.08 16.78 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.0 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -80.74 155.37 26.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 0.742 . . . . 0.0 109.334 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 1.0 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -144.99 130.31 18.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.965 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -100.66 172.32 7.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.0 33.25 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.246 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -159.62 -42.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.365 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.526 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -81.2 -56.2 3.08 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.51 1.131 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.579 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER 37.94 -163.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.396 0.703 . . . . 0.0 109.279 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.579 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 91.02 173.95 43.86 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.44 ' HB3' HD11 ' A' ' 45' ' ' LEU . 18.2 Cg_endo -75.01 128.73 11.7 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.555 1.819 . . . . 0.0 110.972 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.491 ' CB ' ' HA3' ' A' ' 96' ' ' GLY . 1.1 tp10 -79.37 -55.66 4.9 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 112.81 15.22 9.48 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 108' ' ' VAL . 15.0 t -71.99 70.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.584 0.814 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.95 118.15 7.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.246 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.949 HD11 ' CG2' ' A' ' 7' ' ' VAL . 88.5 mt -121.09 149.33 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.546 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -93.48 100.47 12.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 110.034 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.966 ' CE2' HG12 ' A' ' 69' ' ' VAL . 5.0 m-85 -85.07 15.07 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 112' ' ' PHE . 1.3 t30 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.873 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -78.41 -56.11 1.01 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.899 ' O ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo -74.96 78.52 2.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.547 1.814 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.899 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -176.29 143.47 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.496 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -103.19 161.26 13.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.854 ' O ' HG13 ' A' ' 21' ' ' VAL . 1.8 p -153.27 162.52 41.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.437 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.083 HG12 ' HD2' ' A' ' 9' ' ' PRO . 5.4 t -115.72 133.94 60.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.595 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -32.31 -61.44 0.32 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 110.392 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.083 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.01 -84.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 0.9 OUTLIER 86.47 24.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.986 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.414 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 61.2 p -178.61 139.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.959 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 72.97 33.45 59.72 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.95 HD12 HG11 ' A' ' 69' ' ' VAL . 8.3 mt -94.45 -151.3 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 0.805 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.23 171.76 18.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.523 ' CB ' ' HG3' ' A' ' 71' ' ' ARG . 30.7 t0 -67.2 100.1 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.418 ' HA2' ' OG1' ' A' ' 68' ' ' THR . . . 100.86 27.64 7.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.721 HG21 ' HB3' ' A' ' 13' ' ' LEU . 2.1 m -78.48 80.08 4.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 0.0 110.36 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.802 HG22 ' HB ' ' A' ' 68' ' ' THR . 10.4 t -72.61 94.87 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.651 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.4 OUTLIER -116.09 169.88 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.15 131.59 51.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.854 HG13 ' O ' ' A' ' 6' ' ' THR . 73.6 t -134.59 139.75 47.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.88 154.21 46.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.851 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 107.47 171.51 22.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.84 ' HB1' ' HG ' ' A' ' 97' ' ' LEU . . . 155.48 -161.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.68 -4.63 3.18 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.551 1.157 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.565 HD22 ' HB1' ' A' ' 2' ' ' ALA . 1.1 tp 53.34 60.41 3.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.438 0.728 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.527 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 7.9 mm-40 -84.99 -99.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 110.286 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 174.47 90.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.12 19.92 18.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.554 1.159 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 1.2 m -85.38 164.02 18.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.415 ' N ' ' CG2' ' A' ' 30' ' ' THR . . . -76.78 147.54 37.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.637 ' O ' HG12 ' A' ' 55' ' ' VAL . 3.1 m-85 -145.95 79.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 111.043 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -48.83 118.73 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.654 HG22 HD21 ' A' ' 67' ' ' LEU . 48.5 t -54.62 155.44 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.215 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.478 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -136.15 -169.15 11.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.389 1.056 . . . . 0.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.771 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.1 OUTLIER 172.17 120.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 0.734 . . . . 0.0 110.243 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 11.4 m -134.48 172.98 12.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 108.311 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.606 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -145.16 127.14 15.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.916 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 44.3 t90 -79.06 129.32 34.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.024 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.577 HG21 ' NE1' ' A' ' 83' ' ' TRP . 88.7 t -114.34 -102.86 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.55 ' HB3' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -56.62 -162.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.6 m -76.0 -46.1 31.22 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.76 32.14 5.28 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.573 HG11 ' HZ2' ' A' ' 83' ' ' TRP . 13.8 t -124.5 127.35 72.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.245 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 1.8 tt -132.64 102.17 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.643 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -74.58 104.48 5.29 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.482 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -84.02 159.51 21.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.579 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 8.6 t-20 -114.47 86.01 11.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -74.94 39.22 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.78 2.99 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -42.92 -52.04 5.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.393 1.058 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.454 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 65.81 -54.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.979 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.8 m -34.12 152.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 p -139.77 137.13 34.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.528 1.142 . . . . 0.0 110.059 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 32' ' ' TYR . 3.1 p -125.66 160.04 32.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 57' ' ' ALA . 1.5 m -117.37 152.63 34.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -84.1 170.19 14.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.608 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.3 p30 -129.53 120.54 25.53 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.618 1.199 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.62 -90.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.39 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.608 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.9 m120 -35.4 -46.89 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.356 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.547 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.68 0.39 6.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 111.089 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 67.2 m -78.26 137.09 37.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 0.777 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.851 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -68.33 161.86 26.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' A' ' 65' ' ' THR . 27.5 p -164.86 101.93 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 110.064 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.427 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.7 OUTLIER -179.98 174.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 110.431 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.723 ' HB3' HG12 ' A' ' 18' ' ' VAL . 16.2 m -84.47 120.48 26.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.952 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.714 ' HB2' HG21 ' A' ' 21' ' ' VAL . 6.1 mp -114.73 138.49 50.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.259 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 1.062 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -76.96 117.88 19.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 110.425 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.024 HG12 ' CE2' ' A' ' 112' ' ' PHE . 11.9 t -87.47 63.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 1.062 ' NE ' HG23 ' A' ' 68' ' ' THR . 1.0 OUTLIER -60.9 140.43 57.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.573 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 0.4 OUTLIER -110.7 -74.95 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 1.081 . . . . 0.0 110.359 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.2 t -69.0 83.08 0.32 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.552 1.158 . . . . 0.0 109.923 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.615 ' CD1' ' C ' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -132.33 150.48 52.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.498 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 2.3 pt-20 -77.55 120.17 22.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.592 1.182 . . . . 0.0 110.386 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.587 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -110.16 150.53 17.52 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.57 ' CE2' ' HD2' ' A' ' 82' ' ' ARG . 7.3 m-85 -113.39 133.78 54.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.649 HD22 ' HB ' ' A' ' 81' ' ' THR . 10.6 mp -37.63 -60.95 0.66 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.622 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.4 t80 154.01 -20.79 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.53 -39.87 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 177.38 -34.16 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.649 ' HB ' HD22 ' A' ' 77' ' ' LEU . 6.8 m -59.49 166.62 2.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 0.776 . . . . 0.0 110.452 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.57 ' HD2' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -167.81 159.71 11.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.643 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 13.6 m95 -96.85 -61.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 108.017 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.498 ' HA2' ' CB ' ' A' ' 74' ' ' GLU . . . 102.77 144.81 14.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.768 ' O ' HG23 ' A' ' 85' ' ' THR . 3.8 t 30.98 49.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.727 . . . . 0.0 110.355 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.447 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -80.34 119.69 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.556 ' HB3' HG22 ' A' ' 89' ' ' THR . 1.1 m-20 -72.32 103.94 3.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.638 ' O ' ' N ' ' A' ' 92' ' ' ALA . 64.9 m -47.09 -38.92 12.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.493 1.121 . . . . 0.0 108.273 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 87' ' ' ASP . 14.6 t -59.07 -26.16 64.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 87' ' ' ASP . 30.6 m -77.13 -28.56 54.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.916 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -132.4 35.65 3.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 21.63 62.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.206 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.606 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -54.74 -171.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.092 . . . . 0.0 108.35 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.509 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 0.2 OUTLIER -144.52 158.35 43.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.088 . . . . 0.0 110.302 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.95 ' CG1' HD12 ' A' ' 110' ' ' ILE . 7.6 p -140.3 111.98 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.11 -171.61 12.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.952 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -72.66 154.46 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 0.754 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.952 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -143.22 95.44 2.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.022 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -90.14 -178.96 5.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.41 15.71 7.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 109.34 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -167.68 47.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -174.38 -35.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.499 ' HB3' ' CA ' ' A' ' 98' ' ' SER . 20.0 p30 -46.63 175.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.757 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 113.17 -146.27 18.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.429 ' HB3' HD13 ' A' ' 45' ' ' LEU . 18.4 Cg_endo -74.99 95.19 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.525 1.802 . . . . 0.0 111.01 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 179.14 36.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.26 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -88.55 170.06 38.15 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.439 1.087 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.823 HG12 ' O ' ' A' ' 95' ' ' VAL . 11.3 p -95.6 119.06 43.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.633 0.843 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.53 110.75 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.226 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.95 HD12 ' CG1' ' A' ' 95' ' ' VAL . 63.7 mt -112.8 147.95 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.381 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -98.33 103.18 15.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.024 ' CE2' HG12 ' A' ' 69' ' ' VAL . 29.0 m-85 -86.46 129.11 34.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.239 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.715 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . 53.45 172.76 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.759 ' C ' HG22 ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.96 169.3 22.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 0.0 110.949 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.759 HG22 ' C ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER 172.12 167.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 110.456 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . -112.6 160.27 18.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.074 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.687 ' O ' HG13 ' A' ' 21' ' ' VAL . 2.6 p -153.27 165.12 36.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.984 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.6 t -96.16 135.18 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.538 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -38.25 -58.34 1.53 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.393 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.984 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -74.87 175.73 10.81 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.439 1.757 . . . . 0.0 111.013 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.717 ' C ' HG23 ' A' ' 110' ' ' ILE . 10.1 p -153.36 16.78 0.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.045 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.506 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 80.9 p 176.39 161.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.039 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.34 35.68 90.57 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.061 HD12 HG11 ' A' ' 69' ' ' VAL . 4.6 mt -89.46 -143.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 0.783 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.38 161.19 16.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.484 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 51.8 t0 -64.74 94.64 0.13 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.432 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 93.37 34.51 6.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.077 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.827 ' O ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -82.39 96.89 8.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 110.384 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.648 HG12 ' HB3' ' A' ' 66' ' ' SER . 2.7 t -75.26 101.56 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.603 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -114.18 169.06 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.065 . . . . 0.0 109.238 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.98 127.91 33.57 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.784 HG22 HG13 ' A' ' 7' ' ' VAL . 78.7 t -128.07 139.13 52.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.06 159.85 41.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.884 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 101.15 174.14 28.86 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 156.7 -160.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.73 0.23 3.32 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.537 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 3.5 tp 48.93 63.43 2.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.412 0.713 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.518 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 11.2 mm-40 -92.85 -102.25 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 110.353 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -178.53 84.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.541 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 61.46 13.5 37.64 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.69 159.06 33.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 0.728 . . . . 0.0 110.435 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.601 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -69.08 149.11 49.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.592 1.182 . . . . 0.0 109.243 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 1.13 ' CG ' HD21 ' A' ' 97' ' ' LEU . 3.7 m-30 -149.32 81.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.548 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.3 OUTLIER -53.81 128.47 29.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.528 ' CG1' ' HG ' ' A' ' 67' ' ' LEU . 46.7 t -67.21 146.04 13.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.078 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.468 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -123.35 -173.36 14.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.612 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 170.04 116.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 0.802 . . . . 0.0 110.282 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.534 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 15.0 m -128.03 175.4 8.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.282 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.667 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -151.81 125.94 9.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.822 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -75.47 150.58 38.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 107.975 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.771 HG21 ' CD1' ' A' ' 83' ' ' TRP . 80.5 t -135.61 -106.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.248 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.669 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -58.7 163.87 3.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 55.1 m -62.43 89.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 112.15 -15.8 25.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.159 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.645 ' CG1' HD22 ' A' ' 77' ' ' LEU . 21.2 t -88.37 125.73 41.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 0.769 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.751 HD12 ' HB2' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -129.41 114.86 16.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.522 ' HB1' ' C ' ' A' ' 75' ' ' GLY . . . -94.39 113.34 25.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -81.87 167.98 18.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.547 1.155 . . . . 0.0 108.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 28.0 t-20 -113.79 87.78 12.93 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.03 40.92 0.69 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.516 1.798 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -138.32 4.86 2.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.469 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 1.3 p30 -42.04 -57.28 2.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.413 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 67.5 -51.57 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 111.021 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.516 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.9 m -38.42 149.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.055 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.6 p -146.56 142.44 28.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.94 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 56' ' ' THR . 1.6 p -132.54 166.1 30.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.488 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.1 m -124.07 147.64 47.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.404 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -72.0 175.02 6.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.655 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.0 p30 -133.37 119.94 20.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.533 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.7 -88.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.655 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.3 m120 -36.27 -46.65 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.241 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.537 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.43 -1.15 6.5 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.576 1.173 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 4.8 m -79.57 141.66 36.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 110.045 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.884 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.58 156.08 29.32 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.1 p -157.46 106.08 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.974 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.42 HG21 ' HB ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.98 170.52 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.178 . . . . 0.0 110.414 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.648 ' HB3' HG12 ' A' ' 18' ' ' VAL . 15.8 m -86.29 125.54 33.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.966 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.772 ' HB2' HG21 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -114.91 140.13 49.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.943 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -78.32 118.25 20.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.119 . . . . 0.0 110.428 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.178 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.9 t -89.02 60.85 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.943 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.4 OUTLIER -48.11 136.39 11.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.228 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.524 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 1.3 ttp180 -106.88 -78.15 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.5 t -77.67 91.32 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.038 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.553 ' O ' HG12 ' A' ' 86' ' ' VAL . 7.2 p90 -138.62 165.57 26.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.464 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.9 OUTLIER -81.56 118.3 22.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.236 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.522 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -97.36 143.17 16.57 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 33.9 m-85 -116.7 124.53 49.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 0.736 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.791 HD12 ' HB ' ' A' ' 81' ' ' THR . 9.8 mt -39.85 -72.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.601 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER 154.11 -22.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.954 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -92.42 -72.73 0.58 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -159.65 24.54 0.31 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.443 1.089 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.791 ' HB ' HD12 ' A' ' 77' ' ' LEU . 24.9 m -128.24 164.65 22.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 110.449 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.416 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 1.4 ppt_? -162.11 141.7 9.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.771 ' CD1' HG21 ' A' ' 40' ' ' VAL . 71.1 m95 -73.91 -48.1 33.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 108.055 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.631 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 79.25 158.4 13.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 111.063 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 15.49 72.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 110.391 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 73' ' ' PHE . 9.0 p -120.39 143.6 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.21 116.24 22.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.678 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -65.4 -39.12 91.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.29 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.413 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 8.7 t -58.57 -22.26 55.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.404 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.6 m -83.08 -22.42 33.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.396 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.822 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -126.23 24.18 6.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.513 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 30.82 60.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.667 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . 1.7 p -51.66 -177.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 108.271 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.694 HE22 HD11 ' A' ' 45' ' ' LEU . 12.6 pm0 -137.38 154.77 49.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.856 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.2 p -136.87 116.43 15.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.573 1.171 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -135.63 -158.66 8.3 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.547 1.154 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.13 HD21 ' CG ' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -93.82 165.2 12.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.221 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.548 ' O ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -154.05 116.29 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.047 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.465 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -44.19 170.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.249 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.63 -11.09 10.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -112.53 -12.01 13.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 69.86 48.62 40.29 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.454 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.6 t30 -53.24 -169.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 0.796 . . . . 0.0 109.37 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -34.67 144.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.115 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.03 -178.38 4.14 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.441 1.758 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 1.7 mm-40 160.08 49.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.452 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -76.06 167.32 54.63 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.856 HG12 ' O ' ' A' ' 95' ' ' VAL . 2.6 p -101.77 119.98 50.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.75 107.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.815 HG21 HD11 ' A' ' 13' ' ' LEU . 66.2 mt -121.49 150.78 24.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.506 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -87.13 116.67 25.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.973 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.178 ' CE2' HG12 ' A' ' 69' ' ' VAL . 1.4 m-85 -96.6 126.32 41.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 29.4 t30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.487 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -148.8 61.04 5.26 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.964 ' O ' HG23 ' A' ' 4' ' ' THR . 18.4 Cg_endo -75.01 101.53 1.48 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.524 1.802 . . . . 0.0 111.048 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.964 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -179.35 150.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . -105.71 152.37 23.25 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.947 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.2 p -149.49 159.86 43.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.395 1.059 . . . . 0.0 110.411 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.744 ' HA ' HG22 ' A' ' 21' ' ' VAL . 2.1 t -83.57 115.43 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.607 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -37.19 -61.92 0.64 Allowed Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.444 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.743 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.03 -91.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.561 1.821 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.806 ' HA ' HG23 ' A' ' 110' ' ' ILE . 9.5 p 72.43 40.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.959 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.6 ' O ' HD23 ' A' ' 13' ' ' LEU . 65.7 p -153.61 133.66 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.078 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.33 44.08 4.91 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.538 1.149 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.947 HD12 HG11 ' A' ' 69' ' ' VAL . 13.8 mt -79.99 -152.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.51 0.77 . . . . 0.0 109.281 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.436 ' CB ' ' OG1' ' A' ' 17' ' ' THR . 0.1 OUTLIER -148.59 172.22 14.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.566 ' HA ' ' HB2' ' A' ' 71' ' ' ARG . 64.6 t0 -67.43 108.47 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.19 29.25 41.72 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.472 1.108 . . . . 0.0 110.963 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.897 HG22 HG13 ' A' ' 19' ' ' VAL . 53.7 m -72.03 84.4 0.99 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.437 0.728 . . . . 0.0 110.414 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.6 t -65.52 78.73 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.428 1.08 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.897 HG13 HG22 ' A' ' 17' ' ' THR . 21.7 m -85.23 -172.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.416 1.072 . . . . 0.0 109.328 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -88.91 144.27 26.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.346 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.947 HG13 ' O ' ' A' ' 6' ' ' THR . 61.5 t -140.63 144.7 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -143.77 158.08 43.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.373 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.912 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 107.29 174.28 22.54 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.824 ' HB1' HD13 ' A' ' 97' ' ' LEU . . . 152.49 -161.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 109.325 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.22 -3.75 4.09 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 50.05 57.12 6.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 0.763 . . . . 0.0 109.36 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.475 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 36.1 mm-40 -89.66 -100.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -179.13 89.21 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.589 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 64.36 13.74 55.22 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.425 1.078 . . . . 0.0 111.085 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.3 m -73.81 158.98 33.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 110.368 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.466 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -79.35 145.44 33.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.806 ' HB3' HD12 ' A' ' 97' ' ' LEU . 8.4 m-85 -145.67 76.62 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.03 134.69 3.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.508 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 3.6 t -76.27 154.75 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.457 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -127.42 -167.67 12.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.919 ' HB2' HG22 ' A' ' 95' ' ' VAL . 0.4 OUTLIER 164.02 107.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 0.781 . . . . 0.0 110.255 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 39.7 m -124.38 179.67 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 108.358 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.874 ' HB2' ' SG ' ' A' ' 88' ' ' CYS . . . -125.06 129.02 49.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.682 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -91.82 110.1 21.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 108.054 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.582 HG21 ' HE1' ' A' ' 83' ' ' TRP . 41.0 t -93.49 -116.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.558 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -90.57 37.18 0.9 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.433 1.083 . . . . 0.0 109.254 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 69.06 -59.31 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.474 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.449 ' N ' HG22 ' A' ' 42' ' ' THR . . . -65.25 -12.47 55.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.556 1.16 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.487 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 17.4 t -126.87 128.13 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 39' ' ' TRP . 1.0 OUTLIER -135.18 112.91 10.85 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.027 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -86.55 90.32 8.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.566 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -69.72 157.79 36.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 108.225 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 30.3 t-20 -115.34 84.26 11.47 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.95 44.79 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -142.23 6.33 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -51.99 -61.29 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.449 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 72.73 -45.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.508 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.8 m -36.27 155.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 t -151.16 139.94 20.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.779 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 7.7 p -121.96 148.45 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -110.22 145.67 36.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.414 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.589 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -71.18 169.03 15.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.657 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.0 p30 -131.71 120.19 22.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.51 -88.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.657 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.7 m-20 -38.2 -45.68 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.519 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.47 -1.09 6.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -77.6 136.85 38.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 109.958 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.912 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -75.01 159.17 32.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' A' ' 65' ' ' THR . 90.6 p -162.17 117.62 1.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.567 HG23 ' N ' ' A' ' 66' ' ' SER . 12.5 t -176.99 -151.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.621 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.4 m -125.19 136.41 53.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.963 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.866 ' HB2' HG21 ' A' ' 21' ' ' VAL . 7.3 mp -120.71 135.92 55.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.798 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -76.15 99.83 4.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.376 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.947 HG11 HD12 ' A' ' 13' ' ' LEU . 60.5 t -69.58 62.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.798 ' NE ' HG23 ' A' ' 68' ' ' THR . 6.8 mtm180 -46.64 131.07 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HB2' ' HA ' ' A' ' 15' ' ' ASP . 12.9 mtp180 -79.89 -53.88 6.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 84.2 p -134.74 159.43 41.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.039 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.479 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 6.1 p90 178.1 -171.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.27 96.9 6.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.521 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -95.85 -166.9 34.67 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.537 1.148 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 9.0 m-85 -130.98 132.21 44.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.629 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 3.2 mp -49.67 -46.84 50.27 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.629 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 3.4 t80 84.51 14.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -166.79 30.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.438 1.087 . . . . 0.0 109.321 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.07 -63.02 0.05 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.46 1.1 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER 176.46 172.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 110.39 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.539 ' N ' HG23 ' A' ' 81' ' ' THR . 0.6 OUTLIER -52.75 141.51 21.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 1.027 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -75.53 -79.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.041 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 142.43 161.73 8.91 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 85' ' ' THR . 1.7 m -63.34 72.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.761 . . . . 0.0 110.45 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.528 HG22 ' H ' ' A' ' 87' ' ' ASP . 8.8 p -112.4 171.15 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.528 ' H ' HG22 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -70.96 136.04 48.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.874 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -98.5 -36.75 9.82 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 108.324 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -51.4 -35.49 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 110.42 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.19 -22.5 62.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -109.68 20.92 17.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 93' ' ' CYS . . . 39.12 70.19 0.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.97 -176.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.264 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.567 ' O ' ' HA ' ' A' ' 36' ' ' GLN . 2.7 pm0 -160.2 146.97 15.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.919 HG22 ' HB2' ' A' ' 36' ' ' GLN . 40.7 t -130.92 109.59 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -120.8 -165.07 12.62 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.824 HD13 ' HB1' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -97.62 155.87 16.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.483 ' N ' ' HG ' ' A' ' 97' ' ' LEU . 29.4 t -157.41 114.41 3.01 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.099 . . . . 0.0 109.983 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.04 168.13 11.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.71 ' O ' ' HB2' ' A' ' 101' ' ' ALA . . . -89.3 32.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.09 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . 162.19 41.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -139.95 -55.4 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -172.61 -162.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.411 0.712 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -144.0 -81.37 0.05 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.472 1.107 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.07 32.1 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.528 1.804 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -117.73 -52.15 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 111.94 25.6 4.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.482 ' O ' ' HA ' ' A' ' 94' ' ' GLN . 93.8 t -72.5 76.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.449 0.735 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.53 109.49 0.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.806 HG23 ' HA ' ' A' ' 10' ' ' SER . 4.9 mt -109.18 145.28 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.501 ' HB2' ' HA ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -89.17 90.57 8.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.023 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.703 ' CD2' HG12 ' A' ' 69' ' ' VAL . 45.0 m-85 -83.96 132.17 34.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.717 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' A' ' 1' ' ' ALA . . . 86.84 162.63 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.407 1.067 . . . . 0.0 109.326 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.944 ' O ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.99 163.75 34.74 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.803 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.944 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -179.17 160.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.381 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.538 ' O ' ' CA ' ' A' ' 107' ' ' GLY . . . -104.4 159.53 15.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.681 ' HA ' HG12 ' A' ' 108' ' ' VAL . 15.6 p -152.41 158.67 42.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.377 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.678 ' CG2' HG23 ' A' ' 19' ' ' VAL . 1.1 p -116.15 135.48 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.568 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.91 -59.74 0.6 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.953 ' CG ' HG21 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.97 -165.76 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.473 1.775 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.814 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.7 t 146.94 39.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.98 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.49 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 71.9 p -173.55 125.66 0.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.96 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 61.46 31.46 77.59 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.913 HD13 HG21 ' A' ' 17' ' ' THR . 4.7 mt -78.7 -141.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.74 163.85 21.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.462 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 7.8 p-10 -66.8 99.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.613 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 104.45 22.18 8.78 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.913 HG21 HD13 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -64.4 80.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 0.789 . . . . 0.0 110.435 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 16' ' ' GLY . 21.0 t -69.88 114.52 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.953 HG21 ' CG ' ' A' ' 9' ' ' PRO . 2.7 m -139.52 -172.33 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 65' ' ' THR . 3.1 tttt -78.44 135.01 37.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.623 HG11 ' HG ' ' A' ' 67' ' ' LEU . 10.0 p -130.26 140.65 48.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.5 154.82 46.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.756 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 92.07 179.54 41.41 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 155.11 -149.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 0.74 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' C ' ' OH ' ' A' ' 32' ' ' TYR . . . -64.8 -0.78 5.5 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.125 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.4 tp 50.86 50.18 19.58 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.4 0.706 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.4 tp60 -69.53 -103.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 59' ' ' ALA . . . 176.96 78.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.3 55.99 14.28 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.41 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.3 OUTLIER -136.61 160.31 39.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 110.371 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.97 149.85 4.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.499 ' HB3' HD23 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -151.07 82.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.72 117.68 2.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.036 HG21 HD21 ' A' ' 67' ' ' LEU . 31.2 t -65.88 151.02 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.203 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -143.27 138.48 8.25 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.479 1.112 . . . . 0.0 111.046 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.869 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -125.82 120.96 31.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.254 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.5 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 10.2 m -138.4 173.83 11.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 108.326 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.838 ' HB2' ' CB ' ' A' ' 93' ' ' CYS . . . -140.43 107.62 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.576 ' HB3' HD12 ' A' ' 45' ' ' LEU . 12.0 p-90 -86.77 122.53 30.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 108.025 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.76 HG22 ' HB1' ' A' ' 91' ' ' ALA . 59.7 t -111.29 -27.56 2.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.24 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 43' ' ' GLY . 5.0 t0 179.37 61.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.523 HG22 ' N ' ' A' ' 43' ' ' GLY . 1.4 m 56.43 -85.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.465 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.523 ' N ' HG22 ' A' ' 42' ' ' THR . . . -64.09 -12.35 49.18 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.504 1.127 . . . . 0.0 111.061 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.84 ' HA ' HD23 ' A' ' 77' ' ' LEU . 11.5 t -105.71 43.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.373 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.576 HD12 ' HB3' ' A' ' 39' ' ' TRP . 4.5 tt -102.3 111.22 23.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.225 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 1.022 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -92.81 101.82 14.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -84.09 147.89 27.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 108.281 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.573 ' HB2' ' CD2' ' A' ' 73' ' ' PHE . 58.9 t30 -113.14 87.43 10.75 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.518 ' HG3' ' CE1' ' A' ' 76' ' ' PHE . 18.6 Cg_endo -74.89 32.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.46 1.768 . . . . 0.0 111.059 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.622 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -127.63 1.53 6.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -50.61 -51.01 52.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.622 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 13.6 m-85 69.34 -47.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.535 ' C ' ' O ' ' A' ' 52' ' ' PHE . 3.9 m -26.96 142.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.369 1.043 . . . . 0.0 109.988 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.53 ' CA ' HG23 ' A' ' 34' ' ' VAL . 77.9 p -141.92 136.74 30.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.965 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.921 HG22 HG21 ' A' ' 65' ' ' THR . 3.7 t -141.19 165.53 19.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.392 1.058 . . . . 0.0 109.254 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.525 ' N ' ' CG1' ' A' ' 55' ' ' VAL . 1.6 m -120.15 155.5 32.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 110.351 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.714 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -82.65 179.1 7.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.697 ' O ' ' N ' ' A' ' 60' ' ' ASN . 10.6 p30 -132.8 123.41 26.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.56 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 27.53 -86.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.697 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.3 m-20 -36.79 -47.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.714 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 127.09 1.59 6.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 20.7 m -88.84 142.89 27.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.415 0.715 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.753 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -70.68 173.68 6.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.55 ' O ' ' HB ' ' A' ' 65' ' ' THR . 45.2 p -179.77 106.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.921 HG21 HG22 ' A' ' 55' ' ' VAL . 7.1 t 177.91 -136.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.534 ' N ' HG23 ' A' ' 65' ' ' THR . 16.5 m -129.28 130.76 46.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 110.022 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.036 HD21 HG21 ' A' ' 34' ' ' VAL . 6.0 mt -125.13 151.46 45.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.773 HG23 ' NE ' ' A' ' 70' ' ' ARG . 8.7 t -88.06 102.52 14.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 110.434 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.976 HG11 HG21 ' A' ' 110' ' ' ILE . 21.2 t -69.41 64.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.773 ' NE ' HG23 ' A' ' 68' ' ' THR . 1.6 mtm180 -55.67 143.91 28.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.236 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.544 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 3.4 ttp180 -117.27 -74.4 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 t -67.29 113.08 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.63 ' CE1' ' SG ' ' A' ' 88' ' ' CYS . 2.5 p90 -157.54 175.78 13.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.443 ' HB3' ' N ' ' A' ' 85' ' ' THR . 0.3 OUTLIER -129.91 93.65 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.529 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -94.26 178.49 37.18 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 47' ' ' CYS . 49.6 p90 -110.74 131.65 54.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 0.796 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.84 HD23 ' HA ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -55.33 -48.53 74.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.608 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.1 t80 82.77 15.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -160.6 26.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.15 -61.54 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.428 1.08 . . . . 0.0 111.062 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.562 HG23 ' N ' ' A' ' 82' ' ' ARG . 0.5 OUTLIER 178.6 175.47 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 0.802 . . . . 0.0 110.454 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.562 ' N ' HG23 ' A' ' 81' ' ' THR . 0.7 OUTLIER -71.86 122.79 21.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.172 . . . . 0.0 110.269 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 1.022 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 6.6 m95 -51.36 -86.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.672 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 106.8 153.01 19.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.76 HG22 ' O ' ' A' ' 85' ' ' THR . 1.0 OUTLIER 9.56 72.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 0.725 . . . . 0.0 110.389 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 73' ' ' PHE . 4.8 p -121.11 131.5 72.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -81.75 113.56 19.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.63 ' SG ' ' CE1' ' A' ' 73' ' ' PHE . 1.5 m -45.13 -46.21 11.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.284 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 t -52.2 -33.44 40.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 87' ' ' ASP . 97.1 m -68.5 -25.52 65.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.426 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.76 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -128.45 24.37 5.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.424 1.077 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.619 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 27.28 56.3 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.838 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . 1.5 p -51.41 180.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 108.322 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.468 ' N ' ' OE1' ' A' ' 94' ' ' GLN . 5.3 pm0 -137.47 158.49 44.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.869 HG23 ' CG ' ' A' ' 36' ' ' GLN . 14.9 p -133.29 111.06 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.499 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -132.71 -160.58 9.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.414 1.071 . . . . 0.0 111.009 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.701 HD11 HG22 ' A' ' 34' ' ' VAL . 1.7 mp -114.53 158.69 21.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.766 . . . . 0.0 109.281 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.28 141.16 23.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.014 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.99 175.96 9.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.25 -14.91 12.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.705 ' HB3' ' OD1' ' A' ' 103' ' ' ASN . . . -105.34 -10.62 16.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.21 34.89 60.87 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 110.981 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.705 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 1.0 OUTLIER -61.14 159.83 11.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.424 0.72 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.57 166.85 0.03 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.478 ' HG2' ' CG2' ' A' ' 4' ' ' THR . 18.4 Cg_endo -74.95 -161.1 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.482 1.78 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -69.72 -124.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.538 ' CA ' ' O ' ' A' ' 5' ' ' ALA . . . -128.84 -83.63 0.37 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.681 HG12 ' HA ' ' A' ' 6' ' ' THR . 7.5 p -153.57 150.37 12.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.488 0.758 . . . . 0.0 109.35 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -80.04 110.89 15.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.976 HG21 HG11 ' A' ' 69' ' ' VAL . 3.2 mt -97.23 138.38 22.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.49 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -93.0 87.31 5.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.894 ' CE2' HG12 ' A' ' 69' ' ' VAL . 14.4 m-85 -68.78 120.9 15.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.425 ' H ' ' N ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.418 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -149.33 64.53 7.36 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.779 ' O ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.02 103.41 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.779 HG23 ' O ' ' A' ' 3' ' ' PRO . 1.5 p -161.98 135.48 6.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 110.408 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.501 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -99.9 166.13 11.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.963 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.5 p -153.01 155.73 37.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.388 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.054 HG12 ' HD2' ' A' ' 9' ' ' PRO . 6.7 t -126.91 141.13 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.344 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.586 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.13 -60.82 0.53 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.399 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.054 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.09 -163.88 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.564 ' C ' HG23 ' A' ' 110' ' ' ILE . 12.8 p -148.12 -26.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.037 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.645 ' HA ' ' O ' ' A' ' 111' ' ' SER . 81.2 p -169.79 167.76 9.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.974 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 75.77 23.46 72.4 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.517 1.135 . . . . 0.0 111.022 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.018 HD12 HG11 ' A' ' 69' ' ' VAL . 4.9 mt -71.56 -143.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.317 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.452 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.7 t -161.4 161.14 30.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.501 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 37.0 t0 -57.56 90.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.47 1.106 . . . . 0.0 109.369 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 97.29 40.23 3.77 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.445 1.091 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.605 ' O ' HG22 ' A' ' 17' ' ' THR . 1.1 m -71.14 82.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.363 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 6.0 t -71.51 94.35 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.451 HG21 ' CG ' ' A' ' 9' ' ' PRO . 21.9 m -127.63 169.9 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -56.09 141.77 39.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.984 HG22 HG13 ' A' ' 7' ' ' VAL . 67.8 t -144.44 140.24 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.78 155.8 47.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.773 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 106.33 172.05 23.12 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.744 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 156.58 -156.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.336 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.49 -3.13 6.67 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.508 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 4.0 tp 51.91 68.32 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 0.756 . . . . 0.0 109.285 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.742 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.6 OUTLIER -94.55 -85.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.24 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 158.14 99.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 44.63 38.04 5.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.675 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 7.1 m -109.27 155.3 21.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 0.778 . . . . 0.0 110.458 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.8 147.78 48.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.743 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 6.3 m-85 -146.4 78.21 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' SER . 2.4 t70 -55.65 119.96 6.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.649 HG21 ' HB3' ' A' ' 53' ' ' SER . 46.2 t -55.56 157.48 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.487 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -122.65 -72.69 0.27 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 111.057 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 1.1 tp60 69.91 106.52 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 0.783 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.592 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 49.0 m -127.53 179.09 5.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 108.328 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.745 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . -124.75 77.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -65.94 103.89 1.01 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 108.052 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.077 HG22 ' HB1' ' A' ' 91' ' ' ALA . 4.0 t -109.0 -129.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.474 ' H ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -55.1 -174.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.5 m -72.52 90.94 1.36 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.5 -7.58 36.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.568 1.167 . . . . 0.0 110.986 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.968 HG13 ' CZ2' ' A' ' 83' ' ' TRP . 24.6 t -89.55 54.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.786 . . . . 0.0 109.367 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.692 ' O ' HD23 ' A' ' 45' ' ' LEU . 3.6 tt -98.76 100.67 11.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.745 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . . . -85.11 92.25 8.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -67.82 160.64 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 108.323 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 63.6 t30 -114.16 83.12 7.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.473 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.1 30.45 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.495 1.787 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.658 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . . . -135.72 8.24 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.527 ' C ' ' H ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -55.68 -56.39 20.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.658 ' CE1' ' HA ' ' A' ' 50' ' ' ALA . 11.2 m-85 70.18 -40.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.649 ' HB3' HG21 ' A' ' 34' ' ' VAL . 1.5 m -38.62 152.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.051 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.7 p -148.98 141.27 24.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.574 1.171 . . . . 0.0 110.054 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.685 HG23 ' HB ' ' A' ' 65' ' ' THR . 10.6 p -132.26 172.86 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.576 ' H ' HG22 ' A' ' 55' ' ' VAL . 2.0 m -122.31 150.08 42.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.427 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.743 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -81.86 164.26 21.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.637 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.8 p30 -123.71 121.13 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.75 -89.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.637 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.5 m-20 -36.57 -44.99 0.48 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.557 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 123.18 8.71 6.41 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -88.01 132.54 34.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.978 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.773 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -57.69 165.83 1.55 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 65' ' ' THR . 4.7 p -169.12 99.22 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.571 1.17 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.685 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 179.33 171.44 0.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 110.336 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 60.2 p -81.66 112.68 19.07 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.097 . . . . 0.0 110.049 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.735 HD11 HD11 ' A' ' 97' ' ' LEU . 6.2 mt -107.06 148.91 28.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.824 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -84.74 106.96 16.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.018 HG11 HD12 ' A' ' 13' ' ' LEU . 5.2 t -81.29 64.57 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.824 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.1 OUTLIER -51.84 144.62 11.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.589 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 5.7 ttp180 -118.81 -76.92 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -77.12 97.13 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.452 ' O ' HG12 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -150.89 -177.06 5.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.083 . . . . 0.0 111.014 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.477 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 3.1 pm0 -110.48 117.63 34.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.687 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -107.73 162.83 13.11 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 13.3 m-85 -115.55 133.09 56.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 0.802 . . . . 0.0 111.076 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.666 HD12 ' HB ' ' A' ' 81' ' ' THR . 13.4 mt -42.45 -60.43 1.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER 154.05 -24.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -94.77 -73.33 0.58 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -169.36 29.88 0.15 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.666 ' HB ' HD12 ' A' ' 77' ' ' LEU . 30.0 m -131.56 99.55 4.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.412 0.713 . . . . 0.0 110.43 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.507 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -91.79 159.0 16.03 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.968 ' CZ2' HG13 ' A' ' 44' ' ' VAL . 90.4 m95 -88.77 -60.21 2.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 108.047 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.642 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 95.97 154.34 30.41 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.534 1.146 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.782 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 13.43 75.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 110.377 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 73' ' ' PHE . 8.7 p -123.07 143.38 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.423 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -82.23 116.16 21.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.644 ' HB3' ' CE1' ' A' ' 112' ' ' PHE . 2.5 m -63.83 -43.97 94.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.0 t -51.72 -20.87 2.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.188 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 17.9 m -87.59 -16.51 34.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.454 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.077 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -128.21 16.34 6.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 35.35 66.11 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 55.5 m -53.21 176.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 108.266 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.446 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 16.9 pm0 -141.49 154.9 45.81 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.64 ' O ' HG13 ' A' ' 95' ' ' VAL . 8.1 p -120.99 101.16 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -110.19 165.37 12.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.735 HD11 HD11 ' A' ' 67' ' ' LEU . 1.7 mm? -104.78 142.64 34.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 0.773 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -119.72 143.25 47.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.99 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.05 -179.63 3.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.02 11.89 4.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.2 -11.53 11.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 71.99 46.23 37.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.538 1.149 . . . . 0.0 111.04 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.461 ' O ' ' O ' ' A' ' 102' ' ' GLY . 2.4 m-20 -51.45 -171.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 0.721 . . . . 0.0 109.378 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.96 147.84 50.29 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -160.75 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.527 1.804 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 59.93 -173.47 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.214 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 5' ' ' ALA . . . 176.61 -53.37 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' A' ' 6' ' ' THR . 1.5 p -179.96 120.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.787 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -88.16 112.72 23.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.951 HG21 HD11 ' A' ' 13' ' ' LEU . 5.0 mt -114.14 153.47 15.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.645 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -98.47 123.27 42.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.963 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.955 ' CE2' HG12 ' A' ' 69' ' ' VAL . 5.9 m-85 -90.64 126.84 36.09 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.493 ' H ' ' N ' ' A' ' 13' ' ' LEU . 1.2 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.911 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . -124.22 -177.74 0.58 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.911 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 18.4 Cg_endo -74.98 116.26 4.53 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.752 HG22 ' C ' ' A' ' 3' ' ' PRO . 0.5 OUTLIER 173.6 163.11 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.403 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HB2' ' HB3' ' A' ' 97' ' ' LEU . . . -103.06 161.73 13.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.826 ' O ' HG13 ' A' ' 21' ' ' VAL . 19.2 p -150.4 158.56 44.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.961 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -95.05 131.5 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.512 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -36.39 -57.11 1.18 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.961 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.07 -160.3 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.478 1.778 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.723 ' HA ' HD13 ' A' ' 110' ' ' ILE . 89.4 p -155.3 26.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.986 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.613 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -165.58 56.92 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.965 ' CA ' HG21 ' A' ' 17' ' ' THR . . . -43.19 -25.08 0.37 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.547 1.154 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 11' ' ' SER . 1.1 mt 41.45 -88.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.617 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -33.86 118.6 0.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 1.144 . . . . 0.0 110.043 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.507 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 5.6 p-10 -60.56 110.04 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 109.367 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.2 30.07 15.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.539 1.15 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.965 HG21 ' CA ' ' A' ' 12' ' ' GLY . 6.2 t -70.38 94.74 0.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 110.429 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.527 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.7 t -77.29 94.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.622 ' CG2' ' CG1' ' A' ' 7' ' ' VAL . 16.7 m -111.32 179.28 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -69.49 140.4 53.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.343 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.83 HG11 HD22 ' A' ' 67' ' ' LEU . 75.6 t -142.31 140.49 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.27 155.69 45.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.936 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 107.83 176.12 22.3 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.773 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.94 -161.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 0.787 . . . . 0.0 109.289 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.94 -2.26 4.67 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.518 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.1 tp 49.61 62.14 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.511 ' C ' ' HA3' ' A' ' 61' ' ' GLY . 4.5 tp60 -92.57 -102.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.427 ' N ' ' CG ' ' A' ' 27' ' ' GLN . . . -176.0 95.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.413 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 50.54 19.79 3.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.482 ' CB ' ' HG2' ' A' ' 27' ' ' GLN . 1.0 OUTLIER -81.34 158.48 24.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 110.393 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.69 148.43 44.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.76 ' CD1' HD23 ' A' ' 97' ' ' LEU . 2.1 m-85 -143.83 80.23 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.088 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.453 ' O ' ' CB ' ' A' ' 98' ' ' SER . 0.4 OUTLIER -51.15 115.64 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.578 HG22 HD21 ' A' ' 67' ' ' LEU . 45.7 t -58.7 146.55 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.412 1.07 . . . . 0.0 109.333 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -128.56 -166.45 11.99 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.579 1.174 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 170.04 113.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 0.772 . . . . 0.0 110.321 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 4.7 m -128.26 170.79 12.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 108.289 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.691 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . . . -139.73 125.89 19.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -95.43 125.43 40.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 108.018 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.477 ' HB ' ' CG1' ' A' ' 44' ' ' VAL . 39.9 t -109.44 -28.28 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER 179.33 175.16 0.71 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.1 m -56.68 89.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.54 -11.8 39.19 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.477 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 2.3 t -95.1 42.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.784 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.885 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -99.18 104.77 16.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.398 1.061 . . . . 0.0 109.363 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.719 ' CB ' ' CD1' ' A' ' 83' ' ' TRP . . . -94.77 116.17 28.41 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.444 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 0.5 OUTLIER -84.83 163.11 19.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 108.276 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.659 ' ND2' ' CD1' ' A' ' 73' ' ' PHE . 8.7 t-20 -113.73 88.26 13.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.595 1.184 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.1 Cg_endo -74.97 38.17 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.485 1.782 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.596 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -134.1 3.76 3.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.6 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -43.33 -52.08 6.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 16.8 m-85 62.8 -57.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.6 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.3 m -30.63 146.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.951 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.0 p -141.98 136.81 30.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.509 HG22 ' N ' ' A' ' 56' ' ' THR . 2.6 p -126.09 165.92 23.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.509 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.1 m -123.38 151.2 42.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.457 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -80.91 170.2 16.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.238 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.9 p30 -129.84 120.09 24.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.33 -89.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.621 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.8 m-20 -36.24 -46.02 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.518 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 127.11 2.08 6.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 110.96 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.469 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 34.1 t -79.74 136.82 36.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.756 . . . . 0.0 110.034 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.936 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -76.26 154.23 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.329 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' A' ' 65' ' ' THR . 39.2 m -155.89 107.38 2.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.485 ' CG2' ' CD1' ' A' ' 67' ' ' LEU . 1.6 t -178.18 178.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.4 m -93.14 122.8 35.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.989 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.83 HD22 HG11 ' A' ' 21' ' ' VAL . 6.8 mp -114.57 147.05 40.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.363 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.91 HG23 ' NE ' ' A' ' 70' ' ' ARG . 4.5 t -89.19 116.46 27.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.432 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.145 HG12 ' CE2' ' A' ' 112' ' ' PHE . 1.5 t -87.15 60.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.91 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.3 OUTLIER -38.72 133.34 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.243 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.507 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 1.6 ttp180 -89.14 -58.87 2.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 110.308 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 85.0 p -120.81 141.64 50.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.055 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.659 ' CD1' ' ND2' ' A' ' 48' ' ' ASN . 12.4 p90 -175.75 -173.81 0.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' O ' ' ND2' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -109.49 142.22 40.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 83' ' ' TRP . . . -147.74 -160.83 9.14 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.64 ' CZ ' ' CB ' ' A' ' 82' ' ' ARG . 1.4 m-85 -145.75 141.21 27.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.565 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 12.4 mt -63.94 -51.47 64.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.0 t80 80.47 14.02 0.81 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -171.12 32.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.06 -61.99 0.04 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -174.67 173.59 2.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.417 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.64 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -73.22 147.95 44.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.719 ' CD1' ' CB ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -94.13 -155.56 0.46 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 107.98 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . -168.57 170.95 42.53 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.469 ' HA ' ' C ' ' A' ' 73' ' ' PHE . 22.8 m -62.79 75.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 0.746 . . . . 0.0 110.377 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 84' ' ' GLY . 6.0 p -110.02 166.76 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.232 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.95 118.99 20.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.358 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.483 ' SG ' ' O ' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -77.31 -33.2 55.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 108.283 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.752 HG21 ' C ' ' A' ' 113' ' ' ASN . 1.2 t -50.37 -29.94 11.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.374 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.37 -25.32 64.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.4 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -119.27 14.97 13.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 36.84 72.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.691 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 19.1 p -55.77 -169.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 108.284 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.486 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 0.7 OUTLIER -148.38 154.83 40.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.261 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.906 ' O ' HG12 ' A' ' 108' ' ' VAL . 8.5 p -131.76 128.9 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -148.5 -177.62 22.92 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.57 1.169 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.815 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -79.84 146.76 32.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.426 0.721 . . . . 0.0 109.318 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.815 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -137.7 122.12 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -93.64 166.5 12.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.45 36.8 0.71 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -167.5 -37.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -80.4 -61.95 2.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.589 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.7 OUTLIER 36.23 -161.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 0.781 . . . . 0.0 109.351 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.589 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 96.88 170.59 33.98 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.34 4.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.959 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -166.99 34.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.436 1.085 . . . . 0.0 110.25 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.404 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -80.96 176.91 54.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.906 HG12 ' O ' ' A' ' 95' ' ' VAL . 7.3 p -105.39 121.79 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.6 113.0 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 1.047 HG21 HG11 ' A' ' 69' ' ' VAL . 0.8 OUTLIER -116.89 149.0 19.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.453 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 6.3 m -89.1 92.8 9.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.027 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.145 ' CE2' HG12 ' A' ' 69' ' ' VAL . 37.7 m-85 -87.09 165.66 15.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.752 ' C ' HG21 ' A' ' 89' ' ' THR . 12.0 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.626 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -146.11 53.66 1.91 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.891 ' O ' HG23 ' A' ' 4' ' ' THR . 18.1 Cg_endo -75.01 75.39 3.71 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 110.951 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.891 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -172.74 145.88 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.412 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.472 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -101.31 161.98 13.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.472 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 1.7 p -151.94 161.03 43.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.419 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.903 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.5 t -117.7 139.9 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.368 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.513 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -37.2 -57.27 1.38 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.452 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.903 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.97 -165.49 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.44 18.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.574 1.171 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.509 ' CA ' ' O ' ' A' ' 111' ' ' SER . 59.9 p -152.5 114.11 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.036 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.657 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -78.19 6.31 50.88 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.657 ' C ' ' O ' ' A' ' 12' ' ' GLY . 12.5 mt -15.75 -58.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.6 OUTLIER -72.61 101.35 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.417 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 11.9 p-10 -49.55 101.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.611 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 100.49 34.38 4.76 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.474 ' O ' HG22 ' A' ' 17' ' ' THR . 1.2 m -65.2 86.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 16' ' ' GLY . 8.5 t -77.59 96.78 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.239 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.813 HG21 ' CG ' ' A' ' 9' ' ' PRO . 33.4 m -125.41 -176.81 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 65' ' ' THR . 73.1 mttt -72.03 148.89 45.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.358 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.883 HG21 ' HB2' ' A' ' 67' ' ' LEU . 3.4 t -139.1 138.71 41.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.463 1.102 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -135.23 149.61 49.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.801 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 103.81 -176.57 24.0 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.471 1.107 . . . . 0.0 111.029 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.768 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 149.32 -157.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 0.747 . . . . 0.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.35 -1.45 4.37 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.5 OUTLIER 44.46 66.75 0.8 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.588 0.816 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.543 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.1 tp60 -87.71 -105.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 172.57 77.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.52 52.01 6.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.42 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 0.8 OUTLIER -123.56 164.21 19.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 110.401 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.42 ' N ' ' CG2' ' A' ' 30' ' ' THR . . . -78.48 149.3 33.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.925 ' O ' HD12 ' A' ' 97' ' ' LEU . 2.9 m-85 -140.08 75.66 1.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.479 ' HA ' ' CB ' ' A' ' 54' ' ' SER . 0.3 OUTLIER -62.7 115.3 4.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.234 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.782 HG21 ' CB ' ' A' ' 53' ' ' SER . 73.5 t -39.47 150.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.597 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -130.51 -86.19 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.607 ' CD ' HG22 ' A' ' 95' ' ' VAL . 0.5 OUTLIER 75.28 116.39 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 110.286 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.571 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 48.3 m -128.01 177.49 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.48 ' HB2' ' HZ ' ' A' ' 73' ' ' PHE . . . -122.37 137.83 54.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.224 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.865 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -102.2 110.8 22.86 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.604 HG12 ' N ' ' A' ' 41' ' ' ASP . 58.0 t -90.23 -114.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.604 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.2 t0 -92.37 36.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 69.72 -58.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.397 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.45 ' N ' HG22 ' A' ' 42' ' ' THR . . . -66.53 -9.8 51.86 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.071 HG13 HD11 ' A' ' 77' ' ' LEU . 22.1 t -127.62 123.91 62.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tt -126.59 121.46 32.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HB1' ' HA3' ' A' ' 75' ' ' GLY . . . -104.14 92.74 4.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.571 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -66.26 165.18 14.39 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.463 1.102 . . . . 0.0 108.31 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.613 ' ND2' ' CG ' ' A' ' 73' ' ' PHE . 11.0 t-20 -114.64 85.86 11.93 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.97 39.57 0.6 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -134.82 2.85 3.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.435 ' HB3' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -41.96 -55.15 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.306 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 68.07 -49.61 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.782 ' CB ' HG21 ' A' ' 34' ' ' VAL . 30.3 m -50.88 158.59 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.986 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 33' ' ' ASP . 96.7 p -166.33 138.87 3.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.877 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.5 p -137.88 -155.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.71 ' N ' HG13 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -143.21 168.93 18.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 110.496 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.495 ' N ' ' CG2' ' A' ' 56' ' ' THR . . . -72.35 -170.43 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.688 ' O ' ' N ' ' A' ' 60' ' ' ASN . 57.1 p30 -145.85 134.58 22.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.685 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -12.3 80.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.688 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.4 t30 151.29 -37.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.553 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 122.22 -11.47 9.21 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.126 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -76.48 139.2 40.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.041 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -84.1 158.23 21.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.532 ' O ' ' HB ' ' A' ' 65' ' ' THR . 4.6 m -159.21 126.71 4.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.979 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.877 ' HB ' HG21 ' A' ' 55' ' ' VAL . 1.0 OUTLIER 171.35 -115.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.447 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.583 ' N ' ' OG1' ' A' ' 65' ' ' THR . 74.2 m -161.81 137.85 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 110.0 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.883 ' HB2' HG21 ' A' ' 21' ' ' VAL . 7.0 mp -122.74 163.02 20.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.631 HG23 ' NE ' ' A' ' 70' ' ' ARG . 2.2 t -100.22 97.73 8.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.09 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.7 t -72.13 65.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.631 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -64.24 124.94 23.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.547 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 14.5 ttp180 -79.2 -73.59 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.595 1.185 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.5 t -90.36 118.48 29.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.04 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.613 ' CG ' ' ND2' ' A' ' 48' ' ' ASN . 22.1 p90 -156.01 -177.87 6.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.6 OUTLIER -89.66 104.19 16.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.7 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -84.12 149.93 25.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.456 1.098 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.501 ' CG ' ' HG3' ' A' ' 82' ' ' ARG . 20.1 m-85 -129.4 126.64 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 0.755 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.071 HD11 HG13 ' A' ' 44' ' ' VAL . 1.6 mm? -55.06 -44.95 75.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.581 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.6 t80 81.46 7.05 1.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.444 1.09 . . . . 0.0 111.051 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -120.5 -40.51 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.46 39.26 0.03 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.778 HG22 HD23 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -165.32 168.78 16.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.37 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.506 ' N ' ' CG2' ' A' ' 81' ' ' THR . 5.0 ttt180 -157.21 123.45 4.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.165 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.643 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 8.9 m95 -68.17 -74.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.594 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 87.84 145.02 9.83 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.758 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 20.09 80.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 110.339 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -144.18 144.64 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' A' ' 90' ' ' THR . 2.3 m-20 -75.77 109.19 9.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 92' ' ' ALA . 0.5 OUTLIER -68.15 -30.22 69.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.16 . . . . 0.0 108.271 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.473 HG21 ' HD2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -50.69 -22.72 2.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.429 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -75.44 -22.59 57.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.865 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -127.69 14.45 6.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 39.12 90.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.652 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 1.7 p -69.65 -173.95 0.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.498 1.124 . . . . 0.0 108.353 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 19.2 pm0 -142.38 142.98 32.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.231 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.625 ' O ' HG12 ' A' ' 108' ' ' VAL . 83.8 t -107.46 133.93 50.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -159.46 168.03 35.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.583 1.177 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.925 HD12 ' O ' ' A' ' 32' ' ' TYR . 2.7 mm? -88.04 144.83 26.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 0.734 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -119.95 113.15 20.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.409 1.068 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.423 ' OD1' ' CB ' ' A' ' 103' ' ' ASN . 0.8 OUTLIER -54.15 178.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.63 -11.73 27.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -113.08 -7.77 13.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.76 40.04 38.24 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.423 ' CB ' ' OD1' ' A' ' 99' ' ' ASP . 1.3 m120 -96.0 -170.6 2.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.465 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 47.03 60.72 4.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.465 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.5 Cg_endo -74.87 -164.89 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.467 1.772 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 71.37 60.82 0.16 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 110.27 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -51.88 -100.47 0.01 OUTLIER Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.665 HG11 HG23 ' A' ' 7' ' ' VAL . 12.9 p -159.71 123.32 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.452 0.736 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.44 109.77 1.73 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.913 HG21 HG11 ' A' ' 69' ' ' VAL . 11.1 mt -109.5 144.54 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.509 ' O ' ' CA ' ' A' ' 11' ' ' SER . 33.5 m -86.81 97.93 10.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.969 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.09 ' CE2' HG12 ' A' ' 69' ' ' VAL . 49.5 m-85 -89.02 19.73 4.01 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.576 1.172 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.217 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.25 71.89 71.86 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.356 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.916 ' O ' HG23 ' A' ' 4' ' ' THR . 18.6 Cg_endo -74.88 118.67 5.37 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.512 1.796 . . . . 0.0 111.048 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.916 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -179.17 147.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.384 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.716 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . -103.97 152.9 21.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.921 ' O ' HG13 ' A' ' 21' ' ' VAL . 2.5 p -153.08 162.61 41.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.375 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.04 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.6 t -110.99 133.79 55.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.609 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.76 -61.86 0.6 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.377 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.04 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.99 -90.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.435 1.756 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.62 ' HA ' HG23 ' A' ' 110' ' ' ILE . 1.4 p 89.64 13.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.6 p -161.76 136.26 6.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.0 36.2 60.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.849 HD12 HG21 ' A' ' 110' ' ' ILE . 12.9 mt -94.34 -147.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.488 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -158.87 167.51 29.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 109.998 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.435 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 29.1 t0 -62.57 96.54 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.471 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 97.16 33.23 6.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.723 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.6 m -76.48 88.26 3.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.655 HG12 ' HB2' ' A' ' 66' ' ' SER . 3.9 t -71.34 91.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.625 HG22 ' O ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -111.08 166.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -61.57 133.42 55.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.921 HG13 ' O ' ' A' ' 6' ' ' THR . 84.4 t -137.52 141.74 38.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.87 156.34 45.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.823 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 108.85 178.41 21.59 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.488 1.118 . . . . 0.0 111.048 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 149.39 -162.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 0.745 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.02 -7.2 2.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.603 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.6 OUTLIER 52.1 68.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.751 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.4 mp0 -88.35 -95.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.259 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.751 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 156.51 73.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.81 67.05 1.61 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.58 1.175 . . . . 0.0 111.045 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.4 HG22 ' CE2' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -151.92 156.51 40.23 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.465 0.744 . . . . 0.0 110.324 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.92 154.79 38.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.748 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 9.9 m-85 -148.94 80.15 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -50.77 126.41 15.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.826 HG21 HD22 ' A' ' 67' ' ' LEU . 50.8 t -71.14 156.09 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -131.62 -168.31 12.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.456 ' CG ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER 169.3 111.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 110.294 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.504 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 6.8 m -118.07 179.33 4.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 108.353 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.688 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -135.05 160.93 36.77 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.489 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -99.29 125.19 44.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 107.998 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.853 HG11 ' CD2' ' A' ' 83' ' ' TRP . 2.4 t -113.46 -134.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.461 ' H ' HG12 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -52.33 -175.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 0.0 109.344 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.4 m -76.22 89.11 3.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.417 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.25 -6.06 28.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.814 HG11 ' CH2' ' A' ' 83' ' ' TRP . 43.4 t -91.01 127.94 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.937 ' O ' HD23 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -123.47 137.29 54.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.654 ' HB2' ' NE1' ' A' ' 83' ' ' TRP . . . -120.05 100.09 7.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.504 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.3 m -79.05 153.18 30.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.595 1.184 . . . . 0.0 108.323 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 50' ' ' ALA . 63.7 t30 -110.74 93.8 17.95 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.15 36.17 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -131.29 2.33 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -43.09 -51.08 6.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.475 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 70.21 -54.1 0.63 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 111.07 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.488 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 5.5 m -32.89 148.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.7 p -151.86 141.99 22.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 110.001 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.66 ' CG1' HD11 ' A' ' 97' ' ' LEU . 2.1 p -136.72 168.76 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.551 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.2 m -122.4 148.63 44.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.415 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.748 ' HB2' ' HE2' ' A' ' 32' ' ' TYR . . . -60.89 175.06 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.696 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.6 p30 -134.67 135.6 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.696 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -8.42 80.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.646 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.5 t30 149.41 -39.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.669 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 121.7 -2.0 11.07 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.592 1.182 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.522 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -84.23 125.35 32.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 0.792 . . . . 0.0 110.059 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.823 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -63.61 161.64 14.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 65' ' ' THR . 99.8 p -163.65 109.28 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.529 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 177.12 170.86 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.655 ' HB2' HG12 ' A' ' 18' ' ' VAL . 87.2 p -84.46 115.92 22.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.032 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.826 HD22 HG21 ' A' ' 34' ' ' VAL . 9.2 mt -104.86 137.58 42.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.381 1.05 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.865 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -76.73 107.66 9.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.018 HG11 HG21 ' A' ' 110' ' ' ILE . 10.0 t -77.59 61.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.865 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.5 OUTLIER -47.02 142.14 3.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.594 ' HB2' ' CG ' ' A' ' 112' ' ' PHE . 8.2 ttm180 -119.54 -79.09 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 20.7 p -71.64 118.15 14.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.656 ' CG ' ' N ' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -178.85 -165.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.656 ' N ' ' CG ' ' A' ' 73' ' ' PHE . 11.3 pt-20 -128.84 120.11 25.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.498 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -99.36 146.3 17.94 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.128 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.501 ' CE2' ' HD3' ' A' ' 82' ' ' ARG . 10.1 m-85 -111.13 136.37 50.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.76 . . . . 0.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.937 HD23 ' O ' ' A' ' 45' ' ' LEU . 15.2 mt -47.49 -66.83 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.09 . . . . 0.0 109.231 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.486 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER 163.08 -23.76 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 111.033 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -90.33 -67.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -170.85 32.32 0.15 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.669 ' HB ' HD12 ' A' ' 77' ' ' LEU . 51.6 m -125.04 161.76 26.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 0.73 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HD3' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -159.93 174.79 13.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.853 ' CD2' HG11 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -154.08 -85.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 108.007 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.532 ' C ' ' O ' ' A' ' 83' ' ' TRP . . . 26.47 -96.22 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.741 ' O ' HG23 ' A' ' 85' ' ' THR . 1.2 t 35.65 36.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER -167.58 -175.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.558 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -74.13 117.41 15.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.611 ' O ' ' N ' ' A' ' 92' ' ' ALA . 1.8 m -57.95 -33.64 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 0.0 108.291 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.475 HG22 ' CB ' ' A' ' 87' ' ' ASP . 9.5 t -46.6 -22.75 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.6 OUTLIER -79.75 -22.51 43.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -118.73 -6.67 10.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.611 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 58.58 64.83 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.688 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 6.0 m -49.48 176.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 108.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.68 ' N ' HE21 ' A' ' 94' ' ' GLN . 0.0 OUTLIER -140.04 147.41 40.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.255 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.668 ' O ' HG12 ' A' ' 108' ' ' VAL . 7.6 p -125.5 112.43 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -121.03 -179.21 16.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.366 1.041 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.716 HD23 ' HB2' ' A' ' 5' ' ' ALA . 0.1 OUTLIER -100.15 152.2 20.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -132.69 116.34 16.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -113.57 -178.29 3.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.241 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.641 ' O ' ' HB2' ' A' ' 101' ' ' ALA . . . -89.84 35.24 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.228 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . 166.81 47.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -173.61 -34.71 0.03 OUTLIER Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.497 ' N ' ' OD1' ' A' ' 103' ' ' ASN . 0.4 OUTLIER -38.09 157.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 0.794 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 143.81 -173.99 24.41 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.96 3.68 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.55 1.816 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.24 36.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.82 174.88 48.14 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.568 1.168 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.668 HG12 ' O ' ' A' ' 95' ' ' VAL . 8.2 p -101.99 116.65 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 0.79 . . . . 0.0 109.194 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.37 108.69 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 1.018 HG21 HG11 ' A' ' 69' ' ' VAL . 84.1 mt -109.32 148.41 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.7 m -106.96 106.21 16.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.906 ' CE2' HG12 ' A' ' 69' ' ' VAL . 1.6 m-85 -80.72 121.4 25.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 13' ' ' LEU . 35.8 t30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . -114.58 167.4 9.74 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.744 ' C ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.0 -173.68 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.744 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER 67.4 143.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.16 . . . . 0.0 110.387 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.478 ' HB1' HD22 ' A' ' 97' ' ' LEU . . . -73.61 143.65 46.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.94 ' O ' HG13 ' A' ' 21' ' ' VAL . 5.8 p -149.48 151.95 34.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.966 HG13 HG22 ' A' ' 21' ' ' VAL . 3.2 t -123.41 147.3 27.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.515 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -41.77 -57.57 3.91 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.963 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.89 -151.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.78 . . . . 0.0 111.044 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.4 ' H ' ' HB2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER 171.51 -11.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.047 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.552 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 95.4 p -179.18 153.91 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.119 . . . . 0.0 109.954 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.75 42.86 99.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.113 . . . . 0.0 111.018 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.852 HD21 HG23 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -105.07 -169.87 1.67 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 0.738 . . . . 0.0 109.283 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -114.95 160.04 20.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.585 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 6.0 p-10 -62.04 119.8 9.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.678 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 76.69 31.78 52.7 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.552 1.157 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.664 ' O ' HG23 ' A' ' 69' ' ' VAL . 1.2 m -57.3 85.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 16' ' ' GLY . 3.5 t -75.09 88.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.85 HG21 ' HD3' ' A' ' 9' ' ' PRO . 34.4 m -119.26 -179.84 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 145.56 50.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 109.341 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.966 HG22 HG13 ' A' ' 7' ' ' VAL . 54.3 t -142.4 140.51 28.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.52 161.19 38.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.864 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 95.01 -175.73 33.93 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.493 1.121 . . . . 0.0 111.056 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.774 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 147.09 -157.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.562 0.801 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.07 -3.29 4.71 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.527 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 46.71 60.1 3.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.219 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.636 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 10.8 tt0 -79.95 -97.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.231 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 166.72 100.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.55 33.47 12.14 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.786 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 53.4 m -108.94 159.68 16.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 0.73 . . . . 0.0 110.339 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.59 148.35 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 3.4 m-85 -146.21 76.82 1.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.07 129.66 38.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.598 HG11 ' HG ' ' A' ' 67' ' ' LEU . 33.6 t -67.21 149.57 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.642 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -135.84 177.48 19.46 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.619 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -172.56 107.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 110.37 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.534 ' O ' ' HB3' ' A' ' 93' ' ' CYS . 5.5 m -118.49 169.53 9.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.252 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.554 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -131.71 147.63 52.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.608 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -94.57 121.44 36.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.014 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.636 HG21 ' NE1' ' A' ' 83' ' ' TRP . 89.2 t -92.7 -111.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.633 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.9 t0 -90.36 41.4 1.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 109.343 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.542 ' HA ' ' CD1' ' A' ' 39' ' ' TRP . 0.9 OUTLIER 67.08 -64.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -69.39 -8.18 58.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.627 HG13 HD11 ' A' ' 77' ' ' LEU . 40.9 t -121.97 129.82 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.443 0.731 . . . . 0.0 109.347 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.44 132.8 47.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.553 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -113.21 102.22 10.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -80.05 158.0 26.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 108.316 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.551 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 31.7 t30 -112.3 91.45 16.41 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -75.0 38.38 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.562 1.822 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.96 3.19 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.522 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -41.13 -49.35 3.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.31 -58.23 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.583 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 1.9 m -34.49 150.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.9 t -149.33 144.66 26.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.608 HG23 ' HB ' ' A' ' 65' ' ' THR . 7.7 p -139.05 169.87 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.563 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.4 m -121.47 160.32 24.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.366 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.942 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -89.33 148.2 23.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.576 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.2 p30 -112.38 119.62 38.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 37.19 -92.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.0 m-20 -43.63 -43.31 5.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.942 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 125.42 6.38 6.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.506 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.5 m -73.28 128.31 35.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.948 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.864 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -72.1 156.92 38.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.437 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 78.2 p -155.01 107.21 2.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.079 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.608 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.79 172.68 1.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.373 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.55 ' O ' HD12 ' A' ' 67' ' ' LEU . 15.7 m -90.38 132.23 35.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.957 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.86 HD22 HG11 ' A' ' 21' ' ' VAL . 6.9 mp -119.68 143.34 47.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.647 ' HB ' HG22 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -92.03 97.7 11.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.415 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.169 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.3 t -67.69 67.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.56 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -54.79 119.1 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.577 1.173 . . . . 0.0 110.33 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.585 ' HB3' ' CB ' ' A' ' 15' ' ' ASP . 1.2 ttt180 -80.69 -77.28 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.2 p -79.86 99.07 7.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.952 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.608 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -143.24 154.92 44.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.415 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.9 OUTLIER -79.73 121.38 25.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 0.0 110.322 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -105.15 151.08 17.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.521 1.138 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.641 ' CD1' ' O ' ' A' ' 81' ' ' THR . 29.3 t80 -132.9 140.64 47.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.634 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -43.07 -62.65 0.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.425 1.078 . . . . 0.0 109.286 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.8 OUTLIER 153.11 -27.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.6 t70 174.07 56.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.563 1.164 . . . . 0.0 109.26 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.8 -63.09 0.03 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.641 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 1.9 m -137.66 170.07 16.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.433 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.482 ' N ' ' CG2' ' A' ' 81' ' ' THR . 6.1 ttp180 -137.99 149.66 46.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.636 ' NE1' HG21 ' A' ' 40' ' ' VAL . 39.6 m95 -100.27 -69.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.737 ' O ' HG23 ' A' ' 86' ' ' VAL . . . 92.72 165.0 38.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 18.07 78.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 0.735 . . . . 0.0 110.426 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 84' ' ' GLY . 54.0 t -114.92 127.01 72.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.424 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -79.97 106.66 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.359 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.731 ' HB3' ' CD1' ' A' ' 112' ' ' PHE . 1.7 m -53.25 -23.16 8.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 108.228 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.531 HG23 ' CG ' ' A' ' 71' ' ' ARG . 16.3 p -77.72 5.86 8.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.423 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.1 m -119.69 -15.23 8.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -141.3 13.26 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 27.97 72.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 4.1 m -52.15 -177.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 108.297 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.472 ' CG ' ' HA3' ' A' ' 107' ' ' GLY . 14.6 pm0 -140.48 149.75 42.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.88 HG12 HD12 ' A' ' 110' ' ' ILE . 10.9 p -123.88 117.02 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -131.48 167.59 22.52 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.443 1.089 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.478 HD22 ' HB1' ' A' ' 5' ' ' ALA . 2.0 mm? -88.86 143.72 26.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 0.748 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.408 ' OG ' ' HB3' ' A' ' 103' ' ' ASN . 0.2 OUTLIER -122.07 130.42 53.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.959 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -117.92 -177.0 3.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.38 21.14 3.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.336 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.93 51.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 0.0 109.365 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -174.16 -35.37 0.04 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.461 1.101 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 99' ' ' ASP . 0.6 OUTLIER -39.52 159.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.349 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 138.83 -161.67 25.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.469 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.05 111.33 3.3 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.427 1.751 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.3 OUTLIER 169.45 42.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.472 ' HA3' ' CG ' ' A' ' 94' ' ' GLN . . . -76.01 174.1 53.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.552 HG12 HG13 ' A' ' 110' ' ' ILE . 87.4 t -93.43 103.28 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 0.756 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.94 101.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.88 HD12 HG12 ' A' ' 95' ' ' VAL . 54.8 mt -111.73 147.98 15.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.552 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -99.22 108.86 21.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.169 ' CE2' HG12 ' A' ' 69' ' ' VAL . 14.4 m-85 -90.75 132.7 35.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 111.052 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 112' ' ' PHE . 3.9 t30 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.98 117.75 20.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.733 ' O ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.98 96.35 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.589 1.836 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -174.49 155.47 2.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.416 ' O ' ' CG2' ' A' ' 108' ' ' VAL . . . -94.37 170.48 9.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 109.359 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.896 ' O ' HG13 ' A' ' 21' ' ' VAL . 68.3 p -148.25 152.88 37.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.774 HG21 HD11 ' A' ' 110' ' ' ILE . 22.5 t -100.99 124.48 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.773 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -31.35 -70.33 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.147 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.773 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.04 -90.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.457 1.767 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.592 ' CB ' ' O ' ' A' ' 9' ' ' PRO . 3.9 p 92.43 20.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.414 ' O ' HD23 ' A' ' 13' ' ' LEU . 98.2 p -158.68 141.01 14.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.994 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.55 42.26 93.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.1 . . . . 0.0 110.989 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.942 ' HB3' HG21 ' A' ' 17' ' ' THR . 6.6 mt -82.65 -146.53 0.07 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 0.74 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.28 166.64 16.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.569 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 18.5 p-10 -63.3 97.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.489 ' H ' ' HA ' ' A' ' 70' ' ' ARG . . . 97.33 35.78 5.12 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.469 1.106 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.942 HG21 ' HB3' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -71.84 89.04 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 0.775 . . . . 0.0 110.409 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.548 HG22 ' HB ' ' A' ' 68' ' ' THR . 10.8 t -79.87 87.11 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.467 ' CG2' HG13 ' A' ' 7' ' ' VAL . 19.6 m -107.3 -178.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -85.0 133.79 34.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.896 HG13 ' O ' ' A' ' 6' ' ' THR . 41.1 t -129.1 135.69 61.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -134.46 155.67 49.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.848 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 103.79 175.25 25.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.784 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 152.45 -158.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 0.806 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.705 ' N ' HD22 ' A' ' 97' ' ' LEU . . . -61.92 -3.12 4.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.572 1.17 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.539 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.2 tp 51.03 59.62 4.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 0.774 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.553 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 16.0 mm-40 -85.4 -98.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 175.1 96.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.215 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.53 21.21 6.3 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.42 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 18.8 m -84.58 163.79 19.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 0.753 . . . . 0.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.56 146.22 29.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.96 ' CD1' HD13 ' A' ' 97' ' ' LEU . 4.4 m-85 -142.78 77.42 1.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -43.22 118.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.577 HG21 ' HG ' ' A' ' 67' ' ' LEU . 54.1 t -59.19 138.81 19.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -134.22 148.19 19.37 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.814 ' HG3' HG23 ' A' ' 95' ' ' VAL . 1.1 mt-30 -141.23 121.41 13.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.609 0.829 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 12.2 m -127.72 178.48 6.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 108.257 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 1.031 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -149.3 136.38 19.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.415 ' HD1' HD12 ' A' ' 45' ' ' LEU . 23.6 t90 -86.19 127.72 34.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 107.994 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.716 HG22 ' NE1' ' A' ' 83' ' ' TRP . 13.1 t -103.79 -123.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.485 ' HB3' HG23 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -56.21 -161.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.8 m -67.46 -51.13 55.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.46 37.12 3.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.438 1.086 . . . . 0.0 110.985 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.618 HG13 HD11 ' A' ' 77' ' ' LEU . 11.6 t -130.71 119.28 45.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.415 HD12 ' HD1' ' A' ' 39' ' ' TRP . 1.8 tt -133.97 123.04 23.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.69 ' HB3' ' HD1' ' A' ' 83' ' ' TRP . . . -105.53 114.4 28.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 1.3 m -87.27 165.44 15.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 108.267 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 21.7 t-20 -115.8 84.37 12.84 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.08 42.62 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.482 1.78 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.96 1.03 3.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.454 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -48.31 -58.45 4.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.452 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 69.4 -50.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.955 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.5 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 1.0 OUTLIER -35.0 153.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.4 p -141.38 130.26 23.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.989 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.924 HG23 ' CG2' ' A' ' 65' ' ' THR . 1.2 p -112.32 154.26 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.5 m -113.92 149.16 35.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.385 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -83.87 166.72 17.67 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.603 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.3 p30 -125.91 120.36 30.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.521 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.55 -90.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.603 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.8 m-20 -35.99 -45.8 0.44 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.539 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.87 2.43 6.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.436 1.085 . . . . 0.0 110.973 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 39.8 m -78.88 133.11 36.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.741 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.848 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -66.27 164.26 16.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.425 ' O ' ' HB ' ' A' ' 65' ' ' THR . 35.5 p -172.79 107.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.924 ' CG2' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.07 -176.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.625 ' O ' HD12 ' A' ' 67' ' ' LEU . 25.5 p -92.48 128.35 38.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 66' ' ' SER . 2.4 mp -123.27 137.83 54.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.548 ' HB ' HG22 ' A' ' 18' ' ' VAL . 1.4 t -87.84 89.8 8.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.138 . . . . 0.0 110.34 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.815 ' HB ' HG23 ' A' ' 17' ' ' THR . 8.6 t -74.77 68.5 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.604 ' HG2' ' OE1' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -42.18 158.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.797 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 4.0 ttt180 -103.01 -62.65 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.263 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.452 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 53.0 p -111.44 144.45 40.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 109.942 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.6 ' CE2' ' SG ' ' A' ' 88' ' ' CYS . 49.2 p90 -177.18 -168.55 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.605 1.191 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' HA ' ' C ' ' A' ' 84' ' ' GLY . 0.6 OUTLIER -100.15 114.12 27.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.085 . . . . 0.0 110.271 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.35 158.63 17.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.496 1.123 . . . . 0.0 110.953 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -141.0 142.55 34.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 0.76 . . . . 0.0 111.038 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.618 HD11 HG13 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -69.53 -46.32 66.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.609 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.7 t80 83.24 12.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -126.16 -47.42 1.62 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 178.51 38.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.05 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.502 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -165.39 169.35 15.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 110.434 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.502 ' N ' ' CG2' ' A' ' 81' ' ' THR . 13.0 ptt85 -148.74 137.32 21.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.346 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.716 ' NE1' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -71.28 -80.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 108.013 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 129.96 165.47 11.63 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.751 HG22 ' O ' ' A' ' 85' ' ' THR . 1.1 m -67.31 68.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 110.466 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.52 HG22 ' H ' ' A' ' 87' ' ' ASP . 6.5 p -128.54 171.32 16.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.52 ' H ' HG22 ' A' ' 86' ' ' VAL . 11.3 m-20 -57.65 145.29 34.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.798 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.5 OUTLIER -103.57 -30.39 10.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 108.332 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.491 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -49.56 -33.76 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -23.7 64.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.505 1.128 . . . . 0.0 110.411 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -107.05 24.28 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 38.14 59.19 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 1.031 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -51.11 -179.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 108.223 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 9.0 pm0 -162.12 156.14 21.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.098 . . . . 0.0 110.303 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.814 HG23 ' HG3' ' A' ' 36' ' ' GLN . 7.5 p -132.3 112.74 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.595 1.185 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.435 ' CA ' ' HG2' ' A' ' 106' ' ' GLU . . . -128.88 -169.12 12.53 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.561 1.163 . . . . 0.0 110.934 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.96 HD13 ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -80.54 147.94 30.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -146.0 97.92 3.03 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 110.039 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -91.96 169.14 10.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.91 36.23 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.82 -39.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -79.24 -59.86 2.64 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.56 1.163 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.49 ' O ' ' O ' ' A' ' 102' ' ' GLY . 12.4 t-20 34.02 -153.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.282 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 93.26 -162.93 26.19 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.425 1.078 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.52 35.46 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.444 1.76 . . . . 0.0 111.039 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.435 ' HG2' ' CA ' ' A' ' 96' ' ' GLY . 59.5 mp0 -96.08 -89.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.335 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 125.2 -2.7 8.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.546 HG11 ' O ' ' A' ' 95' ' ' VAL . 75.4 t -75.72 68.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 0.768 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.1 113.06 3.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.81 HD13 HG11 ' A' ' 69' ' ' VAL . 66.8 mt -114.51 158.37 14.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.04 96.31 5.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.071 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.797 ' CD2' ' HA ' ' A' ' 71' ' ' ARG . 5.8 m-30 -74.76 123.68 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.418 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.484 ' O ' HG22 ' A' ' 4' ' ' THR . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -72.04 -52.63 7.36 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.769 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -75.01 -62.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.727 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER 66.99 155.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.41 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.886 ' HB3' ' HB2' ' A' ' 97' ' ' LEU . . . -90.5 125.4 35.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.735 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.9 p -135.79 160.3 38.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.088 . . . . 0.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.802 HG22 HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -104.99 127.7 59.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.351 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.619 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.03 -62.8 0.35 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.402 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.933 ' HG2' HG21 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.0 178.98 6.55 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.53 1.805 . . . . 0.0 110.96 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.475 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 21.4 t -177.43 27.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.025 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.583 ' O ' HD23 ' A' ' 13' ' ' LEU . 7.3 p 172.14 160.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.22 28.33 58.68 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 111.037 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.761 HD12 HG21 ' A' ' 110' ' ' ILE . 7.7 mt -90.95 -145.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.761 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.444 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.9 t -158.2 159.66 36.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.024 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.525 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 6.5 p-10 -57.17 103.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.435 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 94.3 34.61 6.32 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.505 1.128 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.687 HG21 ' HB3' ' A' ' 13' ' ' LEU . 1.3 m -70.45 88.23 0.66 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 0.74 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.0 t -73.99 83.57 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.933 HG21 ' HG2' ' A' ' 9' ' ' PRO . 5.4 m -97.93 -178.82 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -86.42 135.26 33.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 6' ' ' THR . 10.2 p -124.92 134.43 66.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -135.95 149.78 49.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.937 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 106.38 -179.2 22.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.787 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 150.8 -158.83 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.566 0.803 . . . . 0.0 109.407 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.32 -2.11 9.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.564 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.8 tp 46.18 69.36 0.48 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.285 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.658 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.4 tp60 -97.56 -82.73 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.658 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 165.22 84.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.603 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 59.64 12.47 19.99 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.607 1.192 . . . . 0.0 111.061 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 87.4 m -72.8 152.57 41.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 0.743 . . . . 0.0 110.423 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.506 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -63.0 147.67 49.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.767 ' HB3' HD21 ' A' ' 97' ' ' LEU . 3.1 m-30 -146.13 77.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.4 OUTLIER -47.37 131.65 13.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.723 HG13 HD11 ' A' ' 67' ' ' LEU . 52.8 t -75.49 151.01 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.452 1.095 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -119.24 -160.98 11.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.125 . . . . 0.0 111.057 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.612 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 5.3 tp60 155.26 99.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.529 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 55.7 m -122.49 -174.68 2.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.927 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . -135.38 82.51 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.836 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -68.8 116.82 9.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 107.987 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.047 HG22 ' HB1' ' A' ' 91' ' ' ALA . 24.2 t -115.4 -31.59 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.406 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -178.81 176.52 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.3 m -56.92 91.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.03 -11.15 44.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.482 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 2.4 t -97.59 40.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.478 0.752 . . . . 0.0 109.342 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.836 HD12 ' HB2' ' A' ' 39' ' ' TRP . 8.1 tt -100.48 96.62 7.52 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.964 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -73.78 89.94 1.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.529 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -76.34 142.54 41.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.718 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 5.4 t-20 -114.69 90.76 23.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 39.36 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.613 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -130.12 1.55 4.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 1.1 p30 -42.85 -51.2 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 18.3 m-30 67.2 -46.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.19 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.569 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.3 m -34.92 155.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 110.06 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.7 t -153.16 146.32 24.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.012 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.728 ' HB ' HG21 ' A' ' 65' ' ' THR . 1.9 p -135.6 159.9 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 m -123.57 141.59 51.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.621 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -66.38 177.24 1.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 109.226 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 60' ' ' ASN . 11.3 p30 -136.0 122.73 21.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.19 -89.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.633 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.0 OUTLIER -39.11 -47.13 1.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.588 1.18 . . . . 0.0 109.337 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.621 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 131.97 -3.98 5.31 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.512 1.133 . . . . 0.0 111.061 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.469 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -73.67 139.8 45.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 0.735 . . . . 0.0 109.985 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.937 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -80.16 156.99 26.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' A' ' 65' ' ' THR . 1.4 m -159.58 117.3 2.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.433 1.083 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.728 HG21 ' HB ' ' A' ' 55' ' ' VAL . 9.0 t -177.09 -142.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.393 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.548 ' N ' HG23 ' A' ' 65' ' ' THR . 1.1 m -136.26 126.21 25.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.723 HD11 HG13 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -101.46 135.06 43.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.357 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.649 ' O ' ' N ' ' A' ' 70' ' ' ARG . 1.2 t -87.16 81.23 8.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.499 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.087 HG11 HG21 ' A' ' 110' ' ' ILE . 6.9 t -58.62 70.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.676 ' HG3' ' CZ ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -68.3 126.31 29.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 110.343 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.525 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 32.0 ttp180 -85.26 -72.33 0.49 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 89.5 p -59.91 95.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CE2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -135.62 169.42 17.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.96 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.518 ' O ' ' CG ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -128.36 72.4 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.405 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -77.52 155.7 43.79 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 47' ' ' CYS . 50.8 p90 -97.43 136.08 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.529 HD22 ' CD1' ' A' ' 83' ' ' TRP . 3.0 mm? -34.8 -62.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.526 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER 160.64 -26.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 1.3 t0 171.11 56.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -164.14 -56.8 0.02 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.548 1.155 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.546 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -154.08 171.06 19.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.582 0.813 . . . . 0.0 110.39 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.546 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.0 OUTLIER -112.61 138.27 49.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.964 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 45.6 m95 -65.55 -94.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 152.9 166.08 14.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.426 1.079 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.467 HG22 ' O ' ' A' ' 85' ' ' THR . 7.0 m -64.86 70.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 0.796 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' A' ' 84' ' ' GLY . 5.9 p -110.01 166.32 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.88 100.52 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' ALA . 1.6 m -43.46 -31.01 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 108.312 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 t -48.73 -22.89 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 110.399 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.16 -26.03 58.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.047 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -126.85 16.56 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 36.94 75.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.901 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 1.3 m -50.8 -179.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 108.346 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.5 OUTLIER -149.14 150.1 32.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.702 ' CG2' HD12 ' A' ' 67' ' ' LEU . 1.4 t -110.32 113.29 43.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.117 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -109.5 174.16 17.73 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 111.04 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.886 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . 2.5 tm? -112.29 154.76 25.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.852 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -136.79 136.16 38.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.025 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.431 ' CG ' ' CG ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -113.19 -177.83 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.28 1.19 12.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.84 -8.48 21.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.438 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 69.59 35.42 74.65 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.438 ' O ' ' O ' ' A' ' 102' ' ' GLY . 9.2 p-10 -49.36 179.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.575 0.809 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -87.27 -170.65 46.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -164.54 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.854 ' HG3' HG23 ' A' ' 108' ' ' VAL . 21.5 tp10 -121.79 -40.53 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 94.78 24.29 18.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.854 HG23 ' HG3' ' A' ' 106' ' ' GLU . 76.7 t -79.01 81.53 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 0.792 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -73.4 110.15 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 1.087 HG21 HG11 ' A' ' 69' ' ' VAL . 2.1 mt -102.86 131.01 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.552 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -85.67 106.7 17.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.955 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.971 ' CE2' HG12 ' A' ' 69' ' ' VAL . 37.1 m-85 -81.31 125.27 30.14 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.379 1.049 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 112' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.08 144.64 51.02 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.911 ' O ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.03 114.35 4.0 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.427 1.751 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.911 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -178.44 148.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.375 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.77 ' CB ' HD23 ' A' ' 97' ' ' LEU . . . -101.81 155.09 18.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.61 ' O ' HG13 ' A' ' 21' ' ' VAL . 13.7 p -151.77 158.47 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.153 . . . . 0.0 110.367 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.983 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.8 t -99.16 134.75 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.395 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.532 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.49 -58.34 0.82 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.415 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.983 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.96 -161.52 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.438 1.757 . . . . 0.0 110.985 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.99 23.35 0.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.978 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.555 ' O ' HD12 ' A' ' 13' ' ' LEU . 66.8 p 179.88 72.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.969 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.694 ' HA2' HG21 ' A' ' 17' ' ' THR . . . -49.63 -25.43 6.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 11' ' ' SER . 0.7 OUTLIER 45.07 20.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 0.768 . . . . 0.0 109.272 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.494 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -148.03 122.6 9.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.015 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.519 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 20.9 t0 -59.64 100.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.558 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 99.09 31.62 6.16 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.46 1.1 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.694 HG21 ' HA2' ' A' ' 12' ' ' GLY . 1.0 OUTLIER -63.3 85.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 110.459 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 16' ' ' GLY . 6.4 t -72.34 98.98 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.774 HG21 ' CG ' ' A' ' 9' ' ' PRO . 34.6 m -124.94 175.47 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -65.82 148.41 51.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.862 HG22 HG13 ' A' ' 7' ' ' VAL . 53.3 t -145.09 143.55 22.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -147.34 155.94 42.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.881 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 100.53 175.73 29.83 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.772 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 152.54 -161.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.12 -4.95 5.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.153 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.5 OUTLIER 49.93 65.26 1.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 0.712 . . . . 0.0 109.349 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.689 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 33.4 tp60 -85.59 -94.87 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.689 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 162.45 100.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.66 34.45 20.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.821 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 4.7 m -109.97 152.12 26.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 110.438 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.91 150.06 48.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.746 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 5.9 m-85 -144.83 78.11 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 111.043 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -53.23 121.67 7.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.649 ' HA ' HD13 ' A' ' 97' ' ' LEU . 99.1 t -62.09 156.33 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' HA2' ' CG ' ' A' ' 51' ' ' ASP . . . -151.62 145.73 13.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.429 1.081 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.796 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -136.73 120.82 17.75 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.455 0.738 . . . . 0.0 110.317 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.486 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 10.9 m -128.76 175.97 8.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.04 135.08 32.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.248 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.608 ' HA ' HD22 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -102.64 126.99 49.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 107.983 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.522 HG22 ' HB2' ' A' ' 91' ' ' ALA . 93.5 t -112.36 -27.39 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.547 ' O ' ' CE2' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -160.85 -163.92 1.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.565 ' HA ' ' CH2' ' A' ' 39' ' ' TRP . 1.0 OUTLIER -78.41 -24.68 46.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.419 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.38 11.23 9.14 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.496 1.122 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.572 HG13 HD11 ' A' ' 77' ' ' LEU . 2.8 t -118.63 103.45 14.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.475 0.75 . . . . 0.0 109.245 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.608 HD22 ' HA ' ' A' ' 39' ' ' TRP . 0.7 OUTLIER -137.31 97.94 3.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.517 ' HB1' ' HA3' ' A' ' 75' ' ' GLY . . . -88.83 107.28 18.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.1 m -84.8 157.01 21.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.298 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.571 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 57.9 t30 -112.82 91.93 19.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.643 1.214 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -75.02 39.16 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.629 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -133.19 3.24 3.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.584 1.177 . . . . 0.0 109.369 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -44.82 -50.5 10.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.629 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 21.7 m-85 63.68 -57.48 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.574 ' N ' ' O ' ' A' ' 51' ' ' ASP . 3.6 m -31.13 146.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.037 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 p -144.7 141.48 29.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.748 HG23 ' HB ' ' A' ' 65' ' ' THR . 3.9 p -128.49 -179.18 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.132 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.718 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -133.88 153.48 51.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 110.365 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.955 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -84.43 145.33 28.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.587 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.5 p30 -109.32 120.63 43.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.81 -91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.587 ' N ' ' O ' ' A' ' 58' ' ' ASP . 0.8 OUTLIER -43.38 -44.07 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.955 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 124.87 6.08 6.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.498 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.6 t -76.44 132.15 39.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 109.941 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -67.56 157.26 34.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' A' ' 65' ' ' THR . 34.7 p -162.45 103.34 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.748 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.3 174.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.407 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 5.5 m -89.04 127.93 35.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.852 ' HB2' HG21 ' A' ' 21' ' ' VAL . 5.3 mp -114.74 142.9 45.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 68' ' ' THR . 9.9 t -84.12 97.88 9.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.084 HG12 ' CE2' ' A' ' 112' ' ' PHE . 23.2 t -69.41 65.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.569 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -58.39 132.28 53.2 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.519 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 2.3 ttt180 -91.03 -74.06 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.5 t -78.75 109.94 13.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.962 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 48' ' ' ASN . 5.5 p90 -148.58 162.79 38.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.425 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 1.0 OUTLIER -82.77 116.2 22.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.517 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -103.43 146.49 16.49 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CG ' ' HB3' ' A' ' 82' ' ' ARG . 9.9 m-85 -125.24 125.3 43.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 111.06 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.644 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 4.6 mm? -40.8 -68.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.644 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.4 t80 152.44 -19.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.24 -73.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.389 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.74 23.49 0.41 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.0 m -121.93 158.94 27.95 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 0.752 . . . . 0.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.471 ' HB3' ' CG ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -166.94 147.08 5.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.353 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.419 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 62.5 m95 -84.42 -49.23 8.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 108.056 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 76.72 137.95 0.84 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.554 1.159 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.745 ' O ' HG23 ' A' ' 85' ' ' THR . 3.5 t 33.56 46.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 110.411 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 73' ' ' PHE . 7.6 p -87.83 147.46 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -77.6 106.8 9.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.696 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -46.4 -31.57 2.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 108.288 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.872 HG21 ' HB3' ' A' ' 113' ' ' ASN . 25.6 p -62.34 -34.41 76.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.47 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.529 ' N ' ' O ' ' A' ' 87' ' ' ASP . 3.2 m -59.82 -31.58 69.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.639 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -135.8 39.47 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.639 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 18.24 63.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 1.7 p -45.65 175.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 108.29 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.506 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 4.9 pm0 -139.39 159.39 42.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.796 HG23 ' HG2' ' A' ' 36' ' ' GLN . 14.6 p -128.56 119.87 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.39 -176.49 14.4 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.77 HD23 ' CB ' ' A' ' 5' ' ' ALA . 0.6 OUTLIER -106.84 148.74 28.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 109.283 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.8 132.86 40.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -103.28 174.41 5.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.85 33.76 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.417 1.073 . . . . 0.0 109.372 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -159.53 -42.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.482 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -82.53 -57.72 2.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.484 ' ND2' ' H ' ' A' ' 104' ' ' GLY . 10.8 t30 36.57 -157.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.484 ' H ' ' ND2' ' A' ' 103' ' ' ASN . . . 82.45 159.86 26.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.376 1.048 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -74.97 144.86 30.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.438 1.757 . . . . 0.0 111.02 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.1 mt-10 163.55 41.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -82.02 -179.19 52.78 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.447 1.092 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.506 ' N ' ' HB2' ' A' ' 94' ' ' GLN . 8.7 p -101.67 123.85 55.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.424 0.72 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.76 116.49 9.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.533 HD11 ' HB ' ' A' ' 7' ' ' VAL . 35.5 mt -114.79 153.96 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -93.27 104.98 17.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.043 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.084 ' CE2' HG12 ' A' ' 69' ' ' VAL . 3.7 m-85 -96.51 158.89 15.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.872 ' HB3' HG21 ' A' ' 89' ' ' THR . 28.4 t-20 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.456 1.097 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.482 ' HA ' ' CA ' ' A' ' 25' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.967 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -59.71 -59.1 14.94 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 1.001 ' O ' HG23 ' A' ' 4' ' ' THR . 18.4 Cg_endo -74.97 -91.86 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.404 1.739 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 1.001 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 171.46 167.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.392 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.596 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -106.02 167.51 9.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.706 ' HA ' HG21 ' A' ' 108' ' ' VAL . 17.3 p -152.59 152.85 32.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.343 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.863 HG12 ' CD1' ' A' ' 110' ' ' ILE . 5.9 p -125.09 150.49 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.487 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.78 -56.06 0.88 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.481 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.7 ' HD2' HG22 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.03 -161.39 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.519 1.8 . . . . 0.0 111.001 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.876 ' O ' HG23 ' A' ' 110' ' ' ILE . 85.6 p -160.91 -29.82 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.018 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.498 ' HA ' ' O ' ' A' ' 111' ' ' SER . 14.1 p -169.44 155.04 5.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.06 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 78.93 28.48 54.33 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.463 1.102 . . . . 0.0 111.066 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.008 HD12 HG11 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -74.35 -147.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.479 0.753 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.97 166.41 32.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.541 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 5.7 p-10 -62.72 99.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.507 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 86.97 34.7 10.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -66.41 82.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 110.404 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 16' ' ' GLY . 4.9 t -67.09 101.64 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -125.91 173.58 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 65' ' ' THR . 1.5 tttt -73.9 125.11 27.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.767 HG11 HD22 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -111.44 142.84 22.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.44 160.4 40.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.777 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 74.77 -165.31 54.75 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.441 1.088 . . . . 0.0 110.978 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 141.5 -130.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.482 ' CA ' ' HA ' ' A' ' 1' ' ' ALA . . . -76.93 -2.92 79.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.559 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 46.61 57.27 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 109.263 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.722 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.9 OUTLIER -72.96 -90.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.722 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 160.39 95.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 28' ' ' ALA . . . 36.25 56.79 1.15 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.569 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -133.95 150.64 51.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 110.421 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.03 146.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.371 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.791 ' O ' HD12 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -149.3 81.45 1.42 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 98' ' ' SER . 10.8 t70 -59.14 120.14 8.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.672 HG22 HD21 ' A' ' 67' ' ' LEU . 7.1 t -55.95 153.1 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -130.51 -156.01 8.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.407 1.067 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.879 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 159.28 110.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.501 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 11.1 m -130.01 173.71 10.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 108.365 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.563 ' HB2' ' HZ ' ' A' ' 73' ' ' PHE . . . -137.81 133.7 34.3 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.574 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 24.8 p-90 -101.56 116.18 32.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 108.027 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.704 HG21 ' NE1' ' A' ' 83' ' ' TRP . 86.1 t -83.15 -109.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.625 ' N ' HG12 ' A' ' 40' ' ' VAL . 75.3 m-20 -91.49 36.72 0.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 41' ' ' ASP . 0.7 OUTLIER 69.61 -58.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.412 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -62.26 -16.58 54.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.569 HG13 HD11 ' A' ' 77' ' ' LEU . 14.7 t -125.1 123.02 64.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.374 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 tt -132.7 118.0 18.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.58 ' HB1' ' N ' ' A' ' 76' ' ' PHE . . . -103.88 113.36 26.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.46 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -87.35 161.4 17.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 108.281 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.552 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 5.4 t-20 -114.45 89.51 18.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.07 41.84 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.545 1.813 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.445 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.35 4.83 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.228 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -37.49 -49.65 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.02 -60.53 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.587 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.0 m -35.81 153.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 110.036 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.419 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 11.2 p -157.52 142.09 16.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.004 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.923 HG21 ' CG2' ' A' ' 65' ' ' THR . 1.2 p -144.84 -157.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.688 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.3 m -144.98 163.05 35.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.79 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -86.76 170.39 11.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.646 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.1 p30 -124.63 118.84 27.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.526 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.83 -89.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.646 ' N ' ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -36.68 -46.48 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.238 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.559 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 124.91 5.85 6.7 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.524 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -85.67 134.08 34.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.971 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -66.8 162.79 20.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.447 ' O ' ' HB ' ' A' ' 65' ' ' THR . 78.6 p -162.48 105.27 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.986 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.923 ' CG2' HG21 ' A' ' 55' ' ' VAL . 6.6 t -177.86 -137.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.369 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.537 ' O ' HD12 ' A' ' 67' ' ' LEU . 18.0 p -138.75 129.01 25.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 0.0 109.965 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.767 HD22 HG11 ' A' ' 21' ' ' VAL . 5.6 mp -118.96 146.45 44.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.866 HG23 ' NE ' ' A' ' 70' ' ' ARG . 6.5 t -81.22 100.76 9.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.318 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.008 HG11 HD12 ' A' ' 13' ' ' LEU . 99.4 t -67.56 67.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.866 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -63.49 130.17 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.541 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 5.2 ttp180 -102.32 -74.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.257 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.4 p -75.92 90.1 2.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.034 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.563 ' HZ ' ' HB2' ' A' ' 38' ' ' ALA . 2.9 p90 -135.67 157.95 45.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 74' ' ' GLU . 1.0 OUTLIER -81.89 105.99 13.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.341 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.5 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -87.13 150.13 22.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.58 ' N ' ' HB1' ' A' ' 46' ' ' ALA . 2.4 m-85 -133.43 137.3 45.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.606 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 1.1 mm? -57.8 -46.73 84.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.606 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.0 t80 83.46 8.9 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 111.041 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.53 -40.69 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 171.59 39.39 0.03 OUTLIER Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.531 HG22 HD23 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -166.51 164.93 17.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 0.765 . . . . 0.0 110.392 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.0 OUTLIER -156.21 132.97 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.333 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.704 ' NE1' HG21 ' A' ' 40' ' ' VAL . 20.1 m95 -80.58 -79.22 0.16 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.623 1.202 . . . . 0.0 108.03 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.638 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 102.5 150.82 23.11 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 15.93 75.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 110.404 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.7 p -125.16 147.65 29.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.36 119.62 25.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.607 ' SG ' ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -67.62 -36.79 81.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 108.25 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.539 ' OG1' ' CA ' ' A' ' 113' ' ' ASN . 7.5 t -60.22 -24.4 64.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.4 m -77.7 -24.41 49.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -125.92 25.16 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 31.27 61.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 1.4 p -53.65 -174.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 108.313 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.456 ' HB2' ' C ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -137.0 147.56 46.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.344 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.879 HG23 ' HG2' ' A' ' 36' ' ' GLN . 12.9 p -137.74 104.94 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.51 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -136.51 -161.35 9.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.791 HD12 ' O ' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -93.62 158.14 15.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 33' ' ' ASP . 0.3 OUTLIER -148.97 145.31 27.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 110.008 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.48 ' OD1' ' OD1' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -70.79 173.24 7.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.06 -7.9 20.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -117.15 -12.07 10.62 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.422 1.076 . . . . 0.0 109.247 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 73.21 46.15 28.38 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.562 ' C ' ' OD1' ' A' ' 103' ' ' ASN . 6.4 p-10 -55.14 -163.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -30.81 105.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.588 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -74.99 -155.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.57 1.826 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.588 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 5.2 tt0 93.87 54.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.51 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . -50.31 -91.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 95' ' ' VAL . 12.2 p -160.85 105.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.15 106.78 3.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.876 HG23 ' O ' ' A' ' 10' ' ' SER . 10.5 mt -128.68 151.27 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.314 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.498 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -77.29 103.03 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.031 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.763 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 3.0 m-30 -80.19 5.83 13.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.539 ' CA ' ' OG1' ' A' ' 89' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.833 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -76.95 -55.25 1.47 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.381 1.051 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.971 ' O ' HG23 ' A' ' 4' ' ' THR . 18.0 Cg_endo -75.06 151.19 38.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.964 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.971 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 178.31 153.66 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.347 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -109.04 141.5 41.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 21' ' ' VAL . 5.6 p -146.43 161.05 41.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.458 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.813 HG13 ' HD2' ' A' ' 9' ' ' PRO . 1.3 p -104.16 169.45 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.085 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.599 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -55.32 -61.77 5.49 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.434 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.813 ' HD2' HG13 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -74.88 167.56 26.8 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.948 ' C ' HG23 ' A' ' 110' ' ' ILE . 43.1 t -132.83 -0.33 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.005 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.457 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 89.7 p 177.87 149.78 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.37 28.65 32.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.027 HD12 HG11 ' A' ' 69' ' ' VAL . 0.6 OUTLIER -72.66 -145.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.31 171.98 18.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.556 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 19.6 p-10 -65.31 99.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.515 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 79.61 35.58 28.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.062 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.77 ' O ' HG22 ' A' ' 17' ' ' THR . 0.8 OUTLIER -64.97 84.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 0.775 . . . . 0.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.54 HG12 ' HB3' ' A' ' 66' ' ' SER . 3.8 t -69.7 95.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.778 HG23 ' CG2' ' A' ' 7' ' ' VAL . 0.8 OUTLIER -117.25 177.48 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.41 148.65 49.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 65' ' ' THR . 3.9 p -144.3 149.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -152.65 152.96 32.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.906 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 101.07 177.61 29.13 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.422 1.076 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.07 -156.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.55 -1.19 4.34 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.541 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.3 tp 49.23 59.01 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.799 ' OE1' HG21 ' A' ' 30' ' ' THR . 2.4 tt0 -84.54 -98.77 0.06 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 110.268 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 176.36 96.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 44.17 24.52 0.58 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.57 1.169 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.799 HG21 ' OE1' ' A' ' 27' ' ' GLN . 32.7 m -91.39 156.6 17.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.784 . . . . 0.0 110.379 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.84 147.97 52.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.548 ' CD1' HD23 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -144.31 78.76 1.59 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -48.42 118.76 2.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.64 ' CG1' HD13 ' A' ' 67' ' ' LEU . 94.6 t -62.97 147.55 11.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' HA2' ' OD2' ' A' ' 51' ' ' ASP . . . -134.09 140.55 11.87 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.872 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -131.76 117.92 19.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 0.759 . . . . 0.0 110.363 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.485 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 7.0 m -129.85 170.56 13.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 108.286 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -133.74 112.64 11.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.594 ' HE1' ' HB3' ' A' ' 92' ' ' ALA . 11.1 p-90 -82.12 111.35 18.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 108.01 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.645 HG21 ' CE2' ' A' ' 83' ' ' TRP . 89.7 t -78.84 -109.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.619 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -91.42 37.63 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 70.23 -58.8 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 1.18 . . . . 0.0 110.407 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' N ' HG22 ' A' ' 42' ' ' THR . . . -59.27 -15.5 30.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.478 1.112 . . . . 0.0 110.975 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.519 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 65.2 t -128.42 135.53 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.463 HD23 ' HB3' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -137.26 103.26 5.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.773 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -79.07 92.96 5.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.485 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -80.89 149.23 29.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 108.217 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.631 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 4.0 t-20 -114.11 89.3 16.68 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -74.91 34.92 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.535 1.808 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.97 3.9 3.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.079 . . . . 0.0 109.389 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -43.4 -49.31 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 71.85 -51.58 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.545 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.8 m -30.82 144.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.024 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 62.2 p -139.77 139.05 36.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.609 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 4.7 p -129.25 154.94 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.2 m -114.13 152.47 31.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 110.326 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -85.57 169.91 13.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.599 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.8 p30 -129.09 119.03 23.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.32 -90.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.369 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.599 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.7 t-20 -35.97 -44.92 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.541 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.4 1.95 7.07 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.513 1.133 . . . . 0.0 111.05 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.473 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 4.0 t -77.81 134.92 37.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 0.74 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.906 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -71.4 160.26 33.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.414 ' O ' ' HB ' ' A' ' 65' ' ' THR . 65.8 p -162.3 106.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.977 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -179.28 -171.96 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.592 ' N ' HG23 ' A' ' 65' ' ' THR . 19.3 m -100.8 128.63 46.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.039 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.971 ' HG ' HG11 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -111.15 134.81 52.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.905 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -80.1 97.99 7.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.418 1.074 . . . . 0.0 110.418 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.027 HG11 HD12 ' A' ' 13' ' ' LEU . 83.5 t -67.49 65.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.905 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -58.7 127.16 30.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.361 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.556 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 10.4 ttp180 -88.28 -71.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.2 t -75.7 111.35 10.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.589 1.181 . . . . 0.0 109.981 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.663 ' CZ ' ' HD2' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -139.36 166.03 25.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.514 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 4.3 pt-20 -115.97 71.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.495 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -74.82 152.65 44.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.125 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.706 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -102.54 134.29 46.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 0.772 . . . . 0.0 111.006 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.598 HD13 ' HB ' ' A' ' 81' ' ' THR . 10.0 mp -38.17 -66.82 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.661 ' HA ' ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER 158.77 -23.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.16 -36.27 11.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.408 1.067 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 168.79 -29.23 0.15 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.472 1.108 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.598 ' HB ' HD13 ' A' ' 77' ' ' LEU . 24.5 m -60.35 155.33 18.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.773 . . . . 0.0 110.417 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.457 ' HA ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -144.35 133.36 22.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.773 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 86.8 m95 -67.97 -67.84 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 107.965 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.534 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 94.43 134.9 7.62 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.749 ' O ' HG23 ' A' ' 85' ' ' THR . 2.8 t 27.49 45.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 0.742 . . . . 0.0 110.412 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 73' ' ' PHE . 8.0 p -91.82 141.96 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.456 ' O ' ' HB ' ' A' ' 90' ' ' THR . 12.4 m-20 -72.02 90.31 1.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.617 ' SG ' ' CD2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -52.97 -32.52 46.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 108.306 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.54 ' OG1' ' N ' ' A' ' 113' ' ' ASN . 2.5 t -63.52 -35.71 81.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.444 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -65.61 -28.94 69.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.434 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.467 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -109.08 30.62 6.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.594 ' HB3' ' HE1' ' A' ' 39' ' ' TRP . . . 33.91 54.04 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.555 ' SG ' ' CE2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER -50.86 -178.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 108.283 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 13.8 pm0 -140.54 152.96 45.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.872 HG23 ' CG ' ' A' ' 36' ' ' GLN . 14.3 p -139.95 89.02 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -119.31 -163.65 12.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.001 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -87.41 158.75 18.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 0.799 . . . . 0.0 109.336 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 1.001 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -148.4 108.9 4.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.952 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.29 168.05 20.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.9 35.17 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -165.49 -38.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 109.37 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -77.12 -62.86 2.38 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.438 1.087 . . . . 0.0 110.993 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.562 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.7 p30 34.28 -158.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 109.325 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.505 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 88.24 177.32 47.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.442 1.089 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.454 ' HB3' HD13 ' A' ' 45' ' ' LEU . 18.3 Cg_endo -74.98 98.18 1.14 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.541 1.811 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -154.04 19.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -74.7 175.0 50.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.626 ' O ' HG13 ' A' ' 108' ' ' VAL . 9.9 p -91.51 103.44 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.571 0.806 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -72.47 106.37 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.236 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.948 HG23 ' C ' ' A' ' 10' ' ' SER . 38.4 mt -130.42 151.12 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.457 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -70.81 100.51 1.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.064 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.892 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 4.0 m-30 -81.16 12.25 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.54 ' N ' ' OG1' ' A' ' 89' ' ' THR . 33.5 t30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.39 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.708 ' N ' ' CD ' ' A' ' 3' ' ' PRO . . . -77.37 -39.73 2.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.238 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.741 ' C ' HG23 ' A' ' 4' ' ' THR . 18.5 Cg_endo -75.06 -89.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.741 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER 67.42 150.81 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.395 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.529 ' CB ' ' HG ' ' A' ' 97' ' ' LEU . . . -77.95 126.2 30.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.528 ' HA ' HG21 ' A' ' 108' ' ' VAL . 18.5 p -151.45 153.84 35.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.35 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.689 HG22 HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -101.16 124.7 55.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.541 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -33.14 -58.32 0.49 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.946 ' HG2' HG21 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.95 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.792 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.83 28.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.542 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 64.2 p 176.66 63.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.06 . . . . 0.0 109.979 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.689 ' HA3' HG21 ' A' ' 17' ' ' THR . . . -56.04 -24.38 42.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.562 1.164 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.542 ' CD1' ' O ' ' A' ' 11' ' ' SER . 0.3 OUTLIER 47.04 19.02 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 0.782 . . . . 0.0 109.347 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.497 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -137.85 118.98 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.993 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.573 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 55.5 t0 -54.66 96.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.504 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 99.0 37.11 4.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.139 . . . . 0.0 111.051 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -67.85 78.45 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 0.741 . . . . 0.0 110.432 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.796 HG12 ' HB2' ' A' ' 66' ' ' SER . 4.6 t -61.89 94.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.946 HG21 ' HG2' ' A' ' 9' ' ' PRO . 12.9 m -106.32 -175.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.075 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -86.73 109.82 19.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.837 HG21 HD22 ' A' ' 67' ' ' LEU . 8.2 p -102.26 126.01 56.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -133.05 159.2 40.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.838 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 98.16 176.43 33.23 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.475 1.109 . . . . 0.0 111.012 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 152.35 -159.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.8 -2.88 3.93 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.572 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.9 OUTLIER 49.37 64.73 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 109.319 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.545 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 3.8 mt-30 -91.23 -96.25 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 172.35 87.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.449 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 66.12 15.27 62.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 31' ' ' ALA . 94.7 m -71.58 171.8 10.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.478 ' N ' HG22 ' A' ' 30' ' ' THR . . . -100.12 142.54 31.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.778 ' HB3' HD13 ' A' ' 97' ' ' LEU . 21.5 m-85 -137.93 77.25 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 110.982 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.43 127.83 23.69 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.754 HG21 ' HB3' ' A' ' 53' ' ' SER . 38.6 t -58.01 164.83 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.483 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -133.67 -75.56 0.1 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.763 ' CG ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 69.45 102.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 0.796 . . . . 0.0 110.284 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 29.4 m -121.67 178.82 4.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 108.337 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.858 ' HB2' ' SG ' ' A' ' 88' ' ' CYS . . . -130.41 91.88 3.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -72.07 113.61 9.3 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.575 1.172 . . . . 0.0 108.007 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.09 HG22 ' HB1' ' A' ' 91' ' ' ALA . 16.7 t -110.79 -28.32 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.8 OUTLIER 177.65 174.68 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.38 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.1 m -55.83 91.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.429 1.08 . . . . 0.0 110.322 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.33 -10.39 46.69 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.431 1.082 . . . . 0.0 111.096 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.623 HG13 HD21 ' A' ' 77' ' ' LEU . 2.2 t -97.2 40.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.593 0.819 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.91 ' O ' HD23 ' A' ' 45' ' ' LEU . 2.6 tt -99.32 96.23 7.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.632 ' HB1' ' C ' ' A' ' 75' ' ' GLY . . . -76.59 93.68 3.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.566 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -70.35 154.59 41.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 108.255 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.518 ' C ' ' H ' ' A' ' 50' ' ' ALA . 24.6 t-20 -115.52 81.17 8.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.94 28.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.472 1.775 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -126.38 0.09 6.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -46.75 -53.93 10.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.593 1.183 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.516 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER 78.01 -39.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.754 ' HB3' HG21 ' A' ' 34' ' ' VAL . 18.0 m -43.27 158.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.032 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.7 p -156.06 143.45 19.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.71 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 5.2 p -128.58 146.74 33.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.7 m -108.17 151.79 25.43 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.424 1.078 . . . . 0.0 110.439 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -77.3 170.68 16.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.647 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.5 p30 -131.29 120.47 23.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.521 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.35 -88.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.647 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.9 t-20 -37.61 -46.75 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.187 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.572 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 129.78 -1.38 5.93 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.57 1.169 . . . . 0.0 111.022 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.489 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -77.0 135.99 38.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.417 0.716 . . . . 0.0 109.984 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.838 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -69.42 160.07 32.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.165 . . . . 0.0 109.348 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' A' ' 65' ' ' THR . 31.1 p -166.71 110.21 0.74 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.616 HG23 ' N ' ' A' ' 66' ' ' SER . 2.5 t -177.61 -162.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.391 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.796 ' HB2' HG12 ' A' ' 18' ' ' VAL . 87.8 p -107.66 133.61 51.84 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.837 HD22 HG21 ' A' ' 21' ' ' VAL . 1.3 mp -126.66 122.69 35.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.562 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 2.7 t -69.56 94.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.333 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.829 HG11 HG21 ' A' ' 110' ' ' ILE . 98.9 t -64.93 67.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.598 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 0.2 OUTLIER -47.83 146.19 2.5 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.334 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.59 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -104.3 -49.55 3.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.1 p -131.17 144.51 51.41 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.575 1.172 . . . . 0.0 109.979 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 70' ' ' ARG . 50.5 p90 -179.97 -167.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -88.43 111.6 21.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.372 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.632 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -113.0 136.33 13.37 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.604 ' CD2' ' CB ' ' A' ' 82' ' ' ARG . 6.4 m-85 -121.93 131.01 53.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.623 HD21 HG13 ' A' ' 44' ' ' VAL . 6.4 mp -69.26 -49.66 54.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.594 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.1 t80 81.49 16.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -165.36 30.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.2 -61.59 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.518 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -169.73 171.64 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 0.762 . . . . 0.0 110.377 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.604 ' CB ' ' CD2' ' A' ' 76' ' ' PHE . 1.8 ptt180 -116.32 115.99 26.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.641 ' HB3' HG11 ' A' ' 86' ' ' VAL . 78.7 m95 -60.29 -93.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 107.996 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 106.2 136.04 8.27 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.803 ' O ' HG23 ' A' ' 85' ' ' THR . 3.4 t 23.87 52.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 0.719 . . . . 0.0 110.389 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.641 HG11 ' HB3' ' A' ' 83' ' ' TRP . 8.0 p -114.9 158.23 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.79 128.02 34.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.858 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -94.8 -31.48 13.72 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.466 1.104 . . . . 0.0 108.312 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.461 ' HB ' ' HB2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -54.62 -36.86 64.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 1.082 . . . . 0.0 110.376 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -69.35 -27.99 65.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.464 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.09 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -105.28 24.01 12.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 34.54 70.94 0.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -51.08 -179.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 108.348 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 1.3 pt20 -155.77 140.96 17.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.763 HG23 ' CG ' ' A' ' 36' ' ' GLN . 3.6 p -105.76 117.86 52.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -144.23 150.95 23.03 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.778 HD13 ' HB3' ' A' ' 32' ' ' TYR . 4.4 pp -103.49 156.88 17.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.53 127.09 28.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.951 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.495 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -100.22 176.19 5.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.254 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.19 36.42 0.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -163.95 -42.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -87.13 -47.29 4.76 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.465 ' O ' ' O ' ' A' ' 102' ' ' GLY . 12.6 t30 37.34 -158.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.446 ' H ' ' ND2' ' A' ' 103' ' ' ASN . . . 73.95 161.55 7.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.484 1.115 . . . . 0.0 111.055 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 165.56 31.04 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.534 1.808 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -98.74 -46.53 5.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.55 14.32 44.47 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.575 1.172 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.528 HG21 ' HA ' ' A' ' 6' ' ' THR . 73.0 t -78.04 80.1 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.75 111.5 6.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.829 HG21 HG11 ' A' ' 69' ' ' VAL . 5.4 mt -103.79 149.92 7.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -92.01 95.29 9.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.033 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.662 ' CE1' ' O ' ' A' ' 110' ' ' ILE . 1.3 m-85 -91.98 153.8 19.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 111.06 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.54 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 17.9 m-20 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.627 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.872 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . 167.62 -55.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.872 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.4 Cg_endo -74.91 83.38 1.81 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.86 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.7 OUTLIER -166.65 138.3 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.515 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -99.84 167.73 10.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.515 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 2.5 p -154.19 156.84 37.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.456 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.075 HG12 ' HD2' ' A' ' 9' ' ' PRO . 5.6 t -120.09 133.1 67.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.403 1.065 . . . . 0.0 109.279 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.588 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.1 -61.03 0.51 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.36 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.075 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.94 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.464 1.771 . . . . 0.0 111.062 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.533 ' C ' HG23 ' A' ' 110' ' ' ILE . 9.9 t -151.21 23.61 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.082 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.496 ' N ' HG23 ' A' ' 110' ' ' ILE . 0.6 OUTLIER -156.08 101.18 2.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.932 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.714 ' H ' HG22 ' A' ' 110' ' ' ILE . . . -79.4 13.18 23.04 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.452 1.095 . . . . 0.0 111.062 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.695 ' C ' ' O ' ' A' ' 12' ' ' GLY . 5.8 mt -8.94 -70.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -59.0 115.0 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.962 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 9.8 t70 -52.16 101.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 96.93 36.73 4.9 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.841 ' O ' HG23 ' A' ' 69' ' ' VAL . 2.3 m -62.27 88.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 110.449 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.785 HG22 ' HB ' ' A' ' 68' ' ' THR . 4.2 t -75.1 100.71 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.682 HG21 ' CG ' ' A' ' 9' ' ' PRO . 5.2 m -132.89 171.15 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -51.0 141.69 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.843 HG11 HD22 ' A' ' 67' ' ' LEU . 18.2 t -147.86 128.32 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -131.05 160.01 35.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.367 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.889 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 100.32 175.17 30.09 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.75 -158.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.423 ' C ' ' OH ' ' A' ' 32' ' ' TYR . . . -63.08 -2.24 4.85 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.693 HD22 ' HB1' ' A' ' 2' ' ' ALA . 0.4 OUTLIER 48.52 60.84 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.265 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.598 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 4.9 tt0 -84.2 -99.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.248 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 169.24 96.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.16 39.09 26.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.768 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 51.6 m -115.92 156.89 25.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 0.751 . . . . 0.0 110.359 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.04 151.04 41.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.599 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 1.8 m-85 -148.45 79.35 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.34 124.96 14.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.6 HG22 HD21 ' A' ' 67' ' ' LEU . 70.5 t -64.32 150.79 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.7 143.48 11.5 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -132.56 115.85 15.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.597 0.822 . . . . 0.0 110.316 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 93' ' ' CYS . 3.9 m -126.43 172.82 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 1.162 . . . . 0.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.728 ' HB2' ' CB ' ' A' ' 93' ' ' CYS . . . -149.51 162.78 39.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.594 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 37.4 m0 -90.76 143.05 27.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 107.976 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.508 HG12 ' H ' ' A' ' 41' ' ' ASP . 4.8 t -116.19 -128.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.508 ' H ' HG12 ' A' ' 40' ' ' VAL . 8.0 m-20 -58.74 -177.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.57 1.169 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.3 m -69.95 89.87 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 110.378 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.52 -7.51 34.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.556 1.16 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.494 ' CG2' ' HB2' ' A' ' 41' ' ' ASP . 98.6 t -95.79 138.11 22.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 46' ' ' ALA . 2.3 tt -133.14 144.58 50.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.423 ' N ' HD23 ' A' ' 45' ' ' LEU . . . -126.75 122.0 33.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.419 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -95.18 159.5 14.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.354 179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 32.6 t-20 -112.05 93.29 20.88 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.407 1.067 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.96 39.58 0.6 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -129.25 -0.54 5.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.6 OUTLIER -46.99 -54.0 11.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.354 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 1.2 m-85 63.64 -54.04 0.22 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.578 1.174 . . . . 0.0 111.044 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.59 ' N ' ' O ' ' A' ' 51' ' ' ASP . 3.4 m -32.81 150.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.964 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.6 p -145.95 141.97 28.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.701 HG23 ' HB ' ' A' ' 65' ' ' THR . 9.0 p -132.81 175.75 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.152 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.646 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -124.72 157.3 35.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.434 1.084 . . . . 0.0 110.434 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.781 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -88.11 155.02 20.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 60' ' ' ASN . 12.8 p30 -117.89 121.23 40.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.65 -91.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.607 ' N ' ' O ' ' A' ' 58' ' ' ASP . 3.6 m-20 -39.73 -44.64 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.781 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 124.31 5.3 7.33 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.145 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.494 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 13.8 m -80.27 133.2 35.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 0.786 . . . . 0.0 110.031 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.889 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -66.98 158.16 31.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.7 p -159.02 101.78 1.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.701 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.57 173.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.408 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 9.5 m -86.66 122.0 29.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.843 HD22 HG11 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -113.18 144.93 41.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.81 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -84.99 115.76 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.029 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.7 t -84.66 61.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.81 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.4 OUTLIER -44.0 133.7 4.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 110.355 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 2.4 ttm180 -90.11 -71.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.432 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 5.7 p -99.83 152.74 19.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.988 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.579 ' CZ ' ' CB ' ' A' ' 88' ' ' CYS . 1.8 p90 179.11 -169.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -98.1 76.08 2.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.84 140.62 38.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 82' ' ' ARG . 4.3 t80 -122.04 151.89 40.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.526 0.78 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 1.6 mm? -62.01 -59.29 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER 159.33 -23.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 0.6 OUTLIER 168.92 53.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.55 -52.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.527 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -172.54 173.19 4.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 110.389 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.527 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.3 OUTLIER -99.74 177.2 5.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.555 ' CG ' ' N ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -156.76 -62.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.555 ' N ' ' CG ' ' A' ' 83' ' ' TRP . . . -34.19 -86.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.425 1.078 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.711 ' O ' HG23 ' A' ' 85' ' ' THR . 1.0 OUTLIER 36.41 32.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.775 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 179.42 -165.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 109.381 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.775 ' N ' HG13 ' A' ' 86' ' ' VAL . 1.7 m-20 -52.42 120.26 5.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -91.62 -21.68 20.68 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.162 . . . . 0.0 108.394 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.587 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 3.3 t -50.77 -27.84 8.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.59 -23.66 66.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.681 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -111.94 41.45 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.681 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 13.14 73.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.728 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . 2.0 m -70.93 -175.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 108.265 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.536 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 3.5 pm0 -150.92 163.11 39.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.208 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.479 HG12 HD12 ' A' ' 110' ' ' ILE . 7.3 p -125.46 102.4 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.473 ' HA2' ' HB3' ' A' ' 5' ' ' ALA . . . -113.46 163.39 12.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.471 1.107 . . . . 0.0 111.046 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.495 HD23 ' HB2' ' A' ' 5' ' ' ALA . 0.9 OUTLIER -93.58 146.56 23.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.33 136.33 45.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -99.35 176.23 5.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.88 37.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.08 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.42 -40.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 109.228 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.528 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -80.63 -58.8 2.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.6 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.4 OUTLIER 39.79 -166.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.6 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 95.32 149.74 26.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -74.93 142.53 28.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.435 1.755 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 3.3 mt-10 165.15 41.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.254 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.85 -167.97 42.97 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.536 ' O ' ' CB ' ' A' ' 94' ' ' GLN . 14.0 p -104.44 134.1 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -76.68 119.1 20.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.245 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.749 HD11 ' CG2' ' A' ' 7' ' ' VAL . 49.1 mt -122.85 146.83 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.553 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -80.78 98.43 7.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.035 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.029 ' CE2' HG12 ' A' ' 69' ' ' VAL . 70.9 m-85 -81.84 10.33 6.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.502 ' N ' ' OG1' ' A' ' 89' ' ' THR . 1.4 m-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.346 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.858 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -37.39 -55.27 1.91 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.858 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.6 Cg_endo -74.95 -159.31 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.428 1.752 . . . . 0.0 111.037 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.762 HG22 ' C ' ' A' ' 3' ' ' PRO . 0.2 OUTLIER 167.72 173.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.383 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.957 ' CB ' HD23 ' A' ' 97' ' ' LEU . . . -99.33 171.15 8.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.66 ' HA ' HG21 ' A' ' 108' ' ' VAL . 81.4 p -154.1 156.46 37.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.976 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.5 t -107.68 132.62 54.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.625 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -34.63 -62.74 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.369 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.976 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.0 -160.63 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.567 1.825 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.616 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.8 t 159.99 28.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.479 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 17.1 p 179.5 141.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.059 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 61.93 36.25 92.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.944 HD12 HG21 ' A' ' 110' ' ' ILE . 5.2 mt -92.04 -145.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.86 159.42 39.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.439 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 10.4 p-10 -64.67 99.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.498 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 98.07 29.24 7.71 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 17' ' ' THR . 0.7 OUTLIER -71.45 96.8 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 110.403 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.6 t -81.25 104.2 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.789 HG21 ' CG ' ' A' ' 9' ' ' PRO . 30.6 m -127.62 171.06 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -60.05 138.89 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.93 ' CG2' HG13 ' A' ' 7' ' ' VAL . 20.5 t -142.29 144.01 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -146.33 157.65 43.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.092 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.77 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 102.48 177.52 27.31 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.519 1.137 . . . . 0.0 111.036 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 155.06 -154.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.33 -2.47 7.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.45 1.094 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.492 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 5.4 tp 51.44 69.11 0.69 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 0.76 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.621 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.8 OUTLIER -93.73 -94.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 167.83 95.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 44.5 43.05 7.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.605 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 91.4 m -115.08 155.78 26.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 0.795 . . . . 0.0 110.39 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.05 148.51 21.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.807 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 4.9 m-85 -151.15 81.18 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.69 132.51 45.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.546 HG12 ' OD2' ' A' ' 51' ' ' ASP . 95.5 t -76.46 148.54 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.575 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -131.0 -167.42 11.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 175.53 111.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 0.758 . . . . 0.0 110.338 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 7.4 m -110.24 175.77 5.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.585 ' CB ' ' SG ' ' A' ' 93' ' ' CYS . . . -129.75 92.19 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.373 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.435 ' O ' ' O ' ' A' ' 91' ' ' ALA . 22.6 t90 -73.33 105.81 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 107.999 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.808 HG22 ' CB ' ' A' ' 91' ' ' ALA . 22.0 t -107.98 -25.63 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.521 ' HB3' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -172.86 -172.82 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.8 m -54.11 -55.94 22.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.59 32.62 6.12 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.811 HG13 ' CZ2' ' A' ' 83' ' ' TRP . 9.6 t -128.04 44.32 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.773 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.493 ' O ' HD23 ' A' ' 77' ' ' LEU . 5.8 tt -107.68 110.97 22.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.716 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -97.73 110.34 22.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -84.15 144.83 28.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 108.31 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.576 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 46.6 t30 -117.69 80.32 13.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 23.22 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.033 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -116.66 2.1 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.546 ' OD2' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -36.59 -34.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.603 1.189 . . . . 0.0 109.318 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER 76.49 -55.21 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.972 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.466 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 3.5 m -38.61 154.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.938 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -155.91 145.61 21.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.601 ' CG1' HD11 ' A' ' 97' ' ' LEU . 2.4 p -141.02 168.33 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.551 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -115.44 152.7 32.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 110.47 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.807 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -78.72 166.63 22.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.618 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.3 p30 -126.69 120.02 28.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.505 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.78 -90.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.618 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.0 m-20 -36.49 -43.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.338 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.56 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 121.09 10.58 6.71 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -89.21 131.51 35.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 109.971 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -64.42 163.9 12.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.402 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 10.1 p -160.05 109.28 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.599 HG23 ' N ' ' A' ' 66' ' ' SER . 0.4 OUTLIER 174.69 176.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 1.178 . . . . 0.0 110.406 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.599 ' N ' HG23 ' A' ' 65' ' ' THR . 91.9 p -88.54 121.74 31.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.777 HD22 HG11 ' A' ' 21' ' ' VAL . 11.0 mp -109.57 145.51 36.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.655 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 7.5 t -91.29 101.79 14.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.966 HG11 HD12 ' A' ' 110' ' ' ILE . 1.8 t -74.74 62.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.655 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.2 OUTLIER -50.2 137.28 18.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.176 . . . . 0.0 110.297 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.602 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 4.8 ttm180 -113.71 -71.93 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 110.267 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.5 p -59.77 84.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.653 ' CD2' ' N ' ' A' ' 74' ' ' GLU . 0.1 OUTLIER -177.79 -176.7 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 111.05 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.653 ' N ' ' CD2' ' A' ' 73' ' ' PHE . 3.2 mt-10 -159.44 162.62 35.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.578 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -127.99 -159.55 10.1 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.411 1.07 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 4.4 m-85 -102.46 142.23 33.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 0.811 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.678 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 5.4 mt -72.7 -39.6 66.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.376 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.678 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 5.9 t80 88.05 1.69 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -163.94 24.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.45 33.28 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.571 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 0.5 OUTLIER 65.13 175.28 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 0.784 . . . . 0.0 110.381 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.59 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 10.3 ptt180 -99.27 161.34 13.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.249 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.811 ' CZ2' HG13 ' A' ' 44' ' ' VAL . 20.4 m95 -88.35 -53.46 4.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 107.992 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.478 ' C ' ' HB2' ' A' ' 74' ' ' GLU . . . 129.08 -100.2 0.5 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 110.971 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.564 HG23 ' HA ' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -150.93 102.09 2.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 110.407 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.53 ' CG1' ' OE2' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -135.26 166.75 27.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.37 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.429 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.4 OUTLIER -56.69 114.32 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.56 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.7 m -70.05 -40.86 74.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 108.281 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.1 t -44.4 -28.2 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.093 . . . . 0.0 110.421 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.429 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.3 m -70.15 -26.32 63.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.808 ' CB ' HG22 ' A' ' 40' ' ' VAL . . . -124.31 11.03 8.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 40.92 72.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.585 ' SG ' ' CB ' ' A' ' 38' ' ' ALA . 23.4 m -54.01 173.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 108.276 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.494 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -138.46 150.19 46.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.48 HG11 HG21 ' A' ' 7' ' ' VAL . 2.7 p -122.89 121.45 63.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.431 ' CA ' ' HA2' ' A' ' 107' ' ' GLY . . . -129.61 178.99 17.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.45 1.094 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.957 HD23 ' CB ' ' A' ' 5' ' ' ALA . 0.2 OUTLIER -101.86 152.21 21.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.5 148.09 47.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.036 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.93 -179.69 4.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.55 -17.2 12.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.39 -7.48 53.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 82.48 1.67 90.5 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.406 1.066 . . . . 0.0 110.943 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.47 ' O ' ' O ' ' A' ' 102' ' ' GLY . 30.6 t30 35.14 -154.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -126.05 179.48 16.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.404 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -75.07 135.49 19.02 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.462 1.769 . . . . 0.0 110.98 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.2 OUTLIER 172.23 38.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.431 ' HA2' ' CA ' ' A' ' 96' ' ' GLY . . . -69.77 -179.05 23.51 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.66 HG21 ' HA ' ' A' ' 6' ' ' THR . 5.2 t -104.15 119.02 52.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 0.747 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.44 114.53 6.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.966 HD12 HG11 ' A' ' 69' ' ' VAL . 6.0 mt -113.05 141.43 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -94.53 103.89 15.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.987 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.803 ' HE2' HG12 ' A' ' 69' ' ' VAL . 2.1 m-85 -85.12 126.84 33.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 1.009 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -69.14 -60.43 4.23 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 1.009 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.4 Cg_endo -75.04 116.77 4.68 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.96 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 179.8 153.65 0.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.441 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.78 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . -92.25 173.99 7.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.969 ' O ' HG13 ' A' ' 21' ' ' VAL . 33.2 p -151.07 152.7 33.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.451 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.626 HG13 ' HD2' ' A' ' 9' ' ' PRO . 3.1 t -97.97 115.51 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.642 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -32.24 -64.27 0.24 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.686 ' HB2' HD21 ' A' ' 13' ' ' LEU . 18.5 Cg_endo -74.91 -78.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.774 ' HA ' HG23 ' A' ' 110' ' ' ILE . 26.4 t 70.24 31.06 3.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.971 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.48 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 78.2 p -171.89 131.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.61 34.54 63.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.806 HD12 HG11 ' A' ' 69' ' ' VAL . 9.9 mt -90.6 -148.2 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 109.385 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -166.86 163.95 16.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.963 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.421 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 17.8 p-10 -61.3 87.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.456 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 110.39 34.36 2.31 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.524 1.14 . . . . 0.0 111.053 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.9 HG22 HG13 ' A' ' 19' ' ' VAL . 1.5 m -86.43 94.69 9.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 110.407 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.5 t -75.73 98.75 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.9 HG13 HG22 ' A' ' 17' ' ' THR . 13.1 m -115.64 174.24 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -72.88 148.17 44.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.969 HG13 ' O ' ' A' ' 6' ' ' THR . 76.3 t -145.15 140.67 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -136.46 157.63 46.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.91 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 100.28 -172.53 24.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.428 1.08 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.762 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 141.56 -153.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.39 -6.02 7.33 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.463 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.3 OUTLIER 46.95 64.88 1.38 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 0.783 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 21.4 mt-30 -90.46 -100.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.249 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.53 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 174.14 80.39 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.632 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . 73.13 22.59 78.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.441 1.088 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 31' ' ' ALA . 90.1 m -90.04 174.04 7.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 0.742 . . . . 0.0 110.377 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.515 ' N ' HG22 ' A' ' 30' ' ' THR . . . -93.62 149.09 21.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.589 ' O ' HD12 ' A' ' 97' ' ' LEU . 9.9 m-85 -144.0 78.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.413 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -49.62 127.77 16.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.653 HG21 ' CB ' ' A' ' 53' ' ' SER . 58.2 t -50.8 146.77 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.555 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -114.89 -90.27 1.71 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.549 1.156 . . . . 0.0 110.945 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.922 ' NE2' HG22 ' A' ' 95' ' ' VAL . 0.9 OUTLIER 72.58 113.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 0.783 . . . . 0.0 110.35 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 43.9 m -129.36 -179.3 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 108.324 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -155.32 177.03 11.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.512 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 2.2 t-105 -111.16 136.24 50.51 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.974 HG13 ' CH2' ' A' ' 83' ' ' TRP . 43.0 t -71.53 -101.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.749 ' N ' HG12 ' A' ' 40' ' ' VAL . 2.9 t0 -173.74 35.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.872 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.0 OUTLIER 178.66 84.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 110.414 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 42' ' ' THR . . . 34.4 33.96 0.03 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 42' ' ' THR . 39.6 t -122.76 144.39 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -122.17 120.3 33.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -105.92 110.59 22.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.533 ' O ' ' CA ' ' A' ' 75' ' ' GLY . 1.1 m -78.36 173.62 12.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 108.261 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 8.3 t-20 -119.45 72.57 14.43 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.32 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.503 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.02 39.93 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -128.1 -2.67 5.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -46.9 -59.35 3.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.069 . . . . 0.0 109.266 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.422 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 70.81 -8.04 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.653 ' CB ' HG21 ' A' ' 34' ' ' VAL . 8.5 m -80.3 165.74 22.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.976 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 10.4 p -152.46 139.79 19.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.879 HG23 ' HB ' ' A' ' 65' ' ' THR . 8.3 p -122.45 155.82 27.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 m -114.33 139.86 49.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.433 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.632 ' HB3' ' H ' ' A' ' 29' ' ' GLY . . . -59.92 -176.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.692 ' O ' ' C ' ' A' ' 59' ' ' ALA . 54.2 p30 -142.29 131.94 24.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.692 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -7.94 77.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.689 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.0 t30 151.54 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.589 1.181 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.558 ' CA ' ' HB1' ' A' ' 57' ' ' ALA . . . 124.06 -14.13 7.95 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.39 1.056 . . . . 0.0 111.035 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -70.32 130.52 42.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 109.908 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.91 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.83 162.97 25.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.2 p -164.96 112.31 1.0 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.012 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.879 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.11 172.67 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.395 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 90.7 p -89.06 116.31 27.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.163 . . . . 0.0 109.977 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.698 ' HB2' HG21 ' A' ' 21' ' ' VAL . 4.8 mp -101.94 151.84 21.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.412 HG23 ' NE ' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -85.3 96.64 9.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.347 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.108 HG12 ' CE2' ' A' ' 112' ' ' PHE . 6.3 t -76.4 65.44 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.527 ' NH2' ' CB ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -67.38 148.29 51.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.607 ' O ' ' CD2' ' A' ' 73' ' ' PHE . 7.3 ttm180 -118.4 -73.52 0.64 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -67.1 102.13 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.607 ' CD2' ' O ' ' A' ' 71' ' ' ARG . 10.9 p90 -165.46 -177.59 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' HB3' ' N ' ' A' ' 85' ' ' THR . 1.1 pt-20 -123.6 114.12 19.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.533 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -86.97 -166.21 42.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.531 1.144 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.55 ' CE2' ' O ' ' A' ' 80' ' ' GLY . 2.8 m-85 -133.15 137.32 46.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.773 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.617 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -39.03 -59.69 0.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.617 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER 153.32 -20.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.977 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.41 -29.61 13.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.55 ' O ' ' CE2' ' A' ' 76' ' ' PHE . . . 155.2 -22.63 0.58 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.12 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 m -61.9 136.24 57.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 110.461 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.45 164.47 26.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.974 ' CH2' HG13 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -104.76 -86.25 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 107.994 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 74' ' ' GLU . . . 163.97 141.13 3.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.778 ' O ' HG23 ' A' ' 85' ' ' THR . 10.2 t -69.07 73.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.413 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 87' ' ' ASP . 11.5 p -109.52 163.64 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.601 1.188 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.422 ' O ' ' HB ' ' A' ' 90' ' ' THR . 5.8 m-20 -77.21 106.17 8.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.543 1.152 . . . . 0.0 109.351 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.654 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -43.16 -33.93 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.359 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.424 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 4.0 m -50.13 -25.93 4.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.2 m -74.58 -24.33 58.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.44 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.586 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -127.16 27.77 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.586 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 24.86 59.41 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.251 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.616 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 15.5 p -48.04 177.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 108.284 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.464 ' HB2' ' C ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -136.28 159.88 40.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.015 HG21 HG13 ' A' ' 69' ' ' VAL . 2.8 t -125.51 116.05 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 106' ' ' GLU . . . -135.63 -171.14 12.28 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.561 1.163 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.78 HD23 ' HB2' ' A' ' 5' ' ' ALA . 0.3 OUTLIER -110.91 152.3 26.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 0.753 . . . . 0.0 109.26 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.0 126.58 34.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.564 ' OD1' ' CA ' ' A' ' 102' ' ' GLY . 0.2 OUTLIER -97.18 -174.45 2.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.313 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.69 36.14 0.79 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.13 -55.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.564 ' CA ' ' OD1' ' A' ' 99' ' ' ASP . . . -78.07 -12.82 83.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.546 1.154 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.457 ' N ' ' OD1' ' A' ' 99' ' ' ASP . 0.2 OUTLIER -37.56 157.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 121.31 -128.81 7.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.434 1.083 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 116.39 4.57 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.403 ' CB ' ' HA3' ' A' ' 96' ' ' GLY . 19.4 mm-40 -101.77 -70.43 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' A' ' 108' ' ' VAL . . . 122.99 -157.45 17.51 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.155 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.818 ' O ' HD12 ' A' ' 110' ' ' ILE . 15.2 t 82.39 71.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.326 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.09 111.83 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.261 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 108' ' ' VAL . 1.8 mp -103.83 144.78 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.152 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -87.77 100.94 13.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.108 ' CE2' HG12 ' A' ' 69' ' ' VAL . 41.1 m-85 -91.28 136.53 33.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 53.9 t30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.307 179.982 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 1.019 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -85.21 -60.62 0.29 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 1.019 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -74.91 164.56 33.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.445 1.761 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.952 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER 178.51 154.9 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.497 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -103.76 166.55 10.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.932 ' HA ' HG11 ' A' ' 108' ' ' VAL . 3.4 p -153.17 159.74 42.74 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.912 HG23 HG23 ' A' ' 21' ' ' VAL . 0.7 OUTLIER -103.32 133.29 47.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.947 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.602 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.07 -61.55 0.48 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.506 1.129 . . . . 0.0 110.425 -179.966 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.602 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -75.06 -86.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.83 ' HA ' HG23 ' A' ' 110' ' ' ILE . 1.1 p 87.55 22.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.509 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 13.9 p -171.29 134.91 0.92 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.908 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.81 37.26 83.84 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.483 1.114 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.753 HD12 HG11 ' A' ' 69' ' ' VAL . 2.5 mt -77.16 -146.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 0.706 . . . . 0.0 109.379 179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.473 ' N ' ' OG1' ' A' ' 17' ' ' THR . 1.7 t -165.78 162.22 18.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.413 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 8.0 p-10 -55.44 87.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.438 1.086 . . . . 0.0 109.357 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.492 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 96.78 42.24 3.39 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 17' ' ' THR . 1.0 OUTLIER -73.43 89.0 1.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 110.391 -179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.3 t -76.58 85.38 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.56 HG23 HG22 ' A' ' 7' ' ' VAL . 17.1 m -108.69 172.18 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -70.03 146.47 51.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.912 HG23 HG23 ' A' ' 7' ' ' VAL . 1.3 t -139.98 148.2 23.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -143.61 151.04 39.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.777 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 103.68 -172.68 21.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 144.65 -154.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.72 -3.08 8.98 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.517 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER 46.69 59.65 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 0.789 . . . . 0.0 109.298 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.612 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.8 mm-40 -80.64 -97.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.432 1.083 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 169.03 102.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.53 25.71 2.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.64 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 94.9 m -97.47 166.73 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.69 147.28 33.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.552 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 4.1 m-85 -146.12 78.49 1.52 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.47 138.46 46.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.746 HG21 ' CB ' ' A' ' 53' ' ' SER . 34.9 t -57.49 159.39 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.565 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -121.76 -88.8 0.98 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.577 ' CB ' ' NH2' ' A' ' 70' ' ' ARG . 3.6 tp60 73.64 105.13 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.44 0.729 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.565 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 15.9 m -122.56 -179.36 4.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 108.339 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -145.25 99.47 3.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.244 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.722 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -62.81 148.37 47.16 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.929 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.807 HG11 ' CZ2' ' A' ' 83' ' ' TRP . 14.9 t -132.24 -123.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB2' HG21 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -57.66 177.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.3 m -67.17 90.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.1 -19.35 15.28 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.455 1.097 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.018 HG13 HD11 ' A' ' 77' ' ' LEU . 44.1 t -78.42 123.96 36.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 0.774 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 37' ' ' CYS . 2.4 tt -134.82 125.32 26.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.741 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -110.27 93.97 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.565 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -75.48 156.33 35.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.246 -179.943 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.701 ' ND2' ' CE2' ' A' ' 73' ' ' PHE . 25.4 t-20 -116.06 80.15 8.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.95 31.04 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -123.23 0.16 8.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.632 ' C ' ' H ' ' A' ' 53' ' ' SER . 1.7 p-10 -38.61 -39.91 0.53 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.601 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 3.0 m-85 65.23 -15.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.979 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.746 ' CB ' HG21 ' A' ' 34' ' ' VAL . 27.7 m -79.65 162.07 25.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.008 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.4 p -157.5 148.29 21.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.554 1.159 . . . . 0.0 109.932 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.641 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -134.98 164.73 33.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.505 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 2.0 m -112.64 151.35 30.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.812 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -84.62 153.71 23.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.58 ' O ' ' N ' ' A' ' 60' ' ' ASN . 3.5 p30 -117.18 118.77 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 35.47 -91.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.58 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.7 m-20 -40.57 -43.83 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.812 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 125.81 5.41 6.39 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.458 1.099 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.465 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -72.39 127.7 33.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 109.98 -179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -77.01 149.88 35.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.449 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 51.8 p -144.06 109.1 4.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.502 ' CG2' ' HB ' ' A' ' 55' ' ' VAL . 0.4 OUTLIER -179.49 167.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 110.443 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.507 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 93.0 p -89.7 130.4 35.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.958 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.848 HD22 HG11 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -114.34 150.71 34.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.467 ' O ' ' OE1' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -90.95 97.63 11.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.094 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.5 t -75.75 63.6 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.577 ' NH2' ' CB ' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -51.54 144.45 10.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.235 -179.95 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 88' ' ' CYS . 8.7 tmm_? -112.09 -60.88 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 55.9 p -74.89 88.82 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.035 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.701 ' CE2' ' ND2' ' A' ' 48' ' ' ASN . 0.4 OUTLIER -178.9 -169.68 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.868 ' HG2' HG12 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -158.68 160.34 36.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.578 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -114.69 -162.61 14.03 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.588 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 3.7 m-85 -112.56 139.17 48.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.018 HD11 HG13 ' A' ' 44' ' ' VAL . 1.2 mm? -51.22 -47.7 62.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.258 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.497 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.7 t80 75.63 16.38 2.53 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -164.79 28.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.408 ' C ' ' OG1' ' A' ' 81' ' ' THR . . . 178.91 -64.21 0.08 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.678 HG22 ' H ' ' A' ' 82' ' ' ARG . 7.5 m -156.74 -145.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 0.797 . . . . 0.0 110.39 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.678 ' H ' HG22 ' A' ' 81' ' ' THR . 1.0 OUTLIER -142.86 150.61 40.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.807 ' CZ2' HG11 ' A' ' 40' ' ' VAL . 66.5 m95 -81.07 -71.15 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.409 ' C ' ' HB2' ' A' ' 74' ' ' GLU . . . 129.26 -103.74 0.61 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER -148.06 99.66 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.78 . . . . 0.0 110.381 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.868 HG12 ' HG2' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -125.0 174.67 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.42 ' H ' HG22 ' A' ' 86' ' ' VAL . 61.9 m-20 -77.47 102.34 6.85 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.904 ' O ' HG22 ' A' ' 89' ' ' THR . 2.8 t -71.46 -142.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 0.0 108.301 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.904 HG22 ' O ' ' A' ' 88' ' ' CYS . 10.9 t 56.16 -5.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.128 . . . . 0.0 110.465 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.724 ' H ' ' C ' ' A' ' 88' ' ' CYS . 0.7 OUTLIER -103.16 -34.99 8.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.36 -179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.722 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -98.58 -8.14 26.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 72.03 91.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 109.263 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.645 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -82.51 176.14 9.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 108.32 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.633 ' NE2' ' CE3' ' A' ' 39' ' ' TRP . 7.2 pm0 -143.16 156.07 44.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.858 ' O ' HG12 ' A' ' 108' ' ' VAL . 41.2 t -129.34 112.31 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.402 ' HA3' ' HA2' ' A' ' 107' ' ' GLY . . . -139.34 177.37 20.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 111.063 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.52 ' HG ' ' CG1' ' A' ' 55' ' ' VAL . 1.6 mm? -103.48 154.95 18.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.509 0.77 . . . . 0.0 109.358 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.5 t -158.4 121.91 3.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.97 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.552 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -87.27 173.94 8.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.709 ' O ' ' HB2' ' A' ' 101' ' ' ALA . . . -85.9 24.97 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . 160.8 42.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -141.44 -52.66 0.04 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -135.15 -166.34 1.82 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 0.744 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -167.73 -126.79 0.86 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.429 1.08 . . . . 0.0 110.991 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.401 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -75.05 120.09 5.91 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER 167.45 43.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 110.225 -179.969 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.467 ' HA3' ' CG ' ' A' ' 94' ' ' GLN . . . -67.68 175.61 26.17 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.932 HG11 ' HA ' ' A' ' 6' ' ' THR . 3.3 p -102.03 123.97 55.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.541 0.789 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.27 108.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.352 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.83 HG23 ' HA ' ' A' ' 10' ' ' SER . 9.8 mt -113.34 148.98 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.43 1.081 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.509 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -91.0 107.05 18.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.98 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.094 ' CE2' HG12 ' A' ' 69' ' ' VAL . 45.8 m-85 -85.29 131.52 34.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.6 1.188 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 41.2 t30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.265 179.99 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.512 ' HB1' ' HA3' ' A' ' 25' ' ' GLY . . . . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 1' ' ' ALA . . . -37.58 134.94 0.76 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 61.72 5.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.423 1.749 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.494 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 3.6 m -108.63 -6.83 15.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.483 1.115 . . . . 0.0 110.372 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.939 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -72.88 132.67 43.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.505 HG23 ' C ' ' A' ' 5' ' ' ALA . 52.1 p -156.01 152.6 28.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.134 HG22 HG22 ' A' ' 21' ' ' VAL . 2.1 t -106.91 118.41 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.168 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.793 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -21.44 -71.69 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.394 -179.965 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.793 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.0 Cg_endo -75.12 -90.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.677 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.8 p 88.0 32.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.532 ' O ' HD23 ' A' ' 13' ' ' LEU . 81.1 p -167.87 146.99 4.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 109.964 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 51.88 40.98 50.91 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.899 HD12 HG11 ' A' ' 69' ' ' VAL . 11.9 mt -90.09 -148.77 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.448 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.4 OUTLIER -165.05 164.54 20.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.999 -179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.472 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 6.4 p-10 -58.2 101.07 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.87 35.47 6.4 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.551 1.157 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 69' ' ' VAL . 2.0 m -79.72 85.85 5.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.48 0.753 . . . . 0.0 110.459 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 8.0 t -73.22 100.79 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.3 OUTLIER -118.21 170.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -66.31 124.82 23.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.134 HG22 HG22 ' A' ' 7' ' ' VAL . 45.0 t -122.39 143.08 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.217 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -140.16 162.71 34.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.905 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 83.68 -163.97 40.89 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.543 1.152 . . . . 0.0 111.028 179.922 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.939 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . . . 143.65 -136.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.512 ' HA3' ' HB1' ' A' ' 1' ' ' ALA . . . -76.14 0.47 62.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 111.041 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 40.96 61.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.336 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.639 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.1 tp60 -86.01 -97.03 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 166.59 99.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 42.17 57.41 3.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.679 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -136.74 152.65 50.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 0.77 . . . . 0.0 110.414 179.948 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.24 146.73 14.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.583 1.177 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.781 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 1.6 m-85 -146.87 80.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -57.45 123.48 15.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.95 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.576 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 70.7 t -65.21 155.45 6.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -130.36 -157.96 9.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.597 ' CD ' HG22 ' A' ' 95' ' ' VAL . 1.0 OUTLIER 159.11 114.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.779 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.541 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 29.0 m -128.7 175.86 8.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 108.327 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.588 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -130.94 138.61 49.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.898 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.1 OUTLIER -104.87 109.68 21.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 107.997 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.938 HG11 ' CZ2' ' A' ' 83' ' ' TRP . 76.8 t -84.31 -104.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.692 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -92.58 35.39 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.7 OUTLIER 69.45 -58.65 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.397 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.451 ' N ' HG22 ' A' ' 42' ' ' THR . . . -65.36 -16.68 63.08 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.502 1.126 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.529 HG12 ' HE1' ' A' ' 83' ' ' TRP . 3.5 t -120.77 122.7 68.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.588 HD23 ' O ' ' A' ' 38' ' ' ALA . 0.8 OUTLIER -126.1 121.53 33.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.355 1.034 . . . . 0.0 109.319 -179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.867 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -98.9 95.84 7.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.541 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -73.35 156.05 38.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 108.347 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 24.8 t-20 -113.93 89.15 15.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -74.92 34.86 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.526 1.803 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -135.06 6.87 3.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.235 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.503 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.4 OUTLIER -39.69 -46.18 1.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.19 -59.67 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.576 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.7 m -31.88 145.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.01 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.0 p -155.39 141.0 17.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.614 1.196 . . . . 0.0 109.954 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.83 HG21 ' HB ' ' A' ' 65' ' ' THR . 0.7 OUTLIER -143.2 -163.98 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.655 ' N ' HG13 ' A' ' 55' ' ' VAL . 0.7 OUTLIER -139.24 170.25 16.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.406 179.935 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.781 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -92.96 160.46 14.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.662 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.8 p30 -119.49 118.3 30.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.502 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 33.02 -88.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 109.253 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.662 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.1 m-20 -40.68 -45.51 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.767 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 124.33 4.71 7.55 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.498 1.124 . . . . 0.0 111.066 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.504 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -81.51 140.41 34.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 0.755 . . . . 0.0 109.987 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.905 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -82.39 161.12 22.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.456 ' O ' ' HB ' ' A' ' 65' ' ' THR . 79.7 p -158.77 105.86 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.024 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.83 ' HB ' HG21 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.43 170.98 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.456 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 1.7 m -85.79 125.14 33.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.817 HD22 HG11 ' A' ' 21' ' ' VAL . 8.6 mp -115.51 141.24 48.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.361 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.649 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 6.7 t -80.47 106.86 12.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 110.395 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.156 HG12 ' CE2' ' A' ' 112' ' ' PHE . 4.5 t -75.99 65.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.649 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -47.35 139.02 6.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.332 179.934 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.472 ' HB3' ' HA ' ' A' ' 15' ' ' ASP . 7.0 ttp180 -109.1 -74.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 p -88.18 116.44 26.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.941 -179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.41 ' O ' ' O ' ' A' ' 84' ' ' GLY . 26.2 p90 -156.44 -173.79 4.65 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.093 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 74' ' ' GLU . 4.4 tm-20 -113.5 93.79 4.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.27 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.533 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -94.87 148.74 19.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.68 ' CZ ' ' HA ' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -110.29 138.46 46.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 0.766 . . . . 0.0 110.978 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 9.9 mp -37.62 -64.22 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.68 ' HA ' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER 159.34 -26.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 111.031 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 1.6 t70 173.35 65.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.89 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.14 -54.89 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.571 1.169 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -153.83 166.61 32.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 110.408 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.474 ' N ' ' CG2' ' A' ' 81' ' ' THR . 3.7 ptt85 -122.62 143.2 49.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.938 ' CZ2' HG11 ' A' ' 40' ' ' VAL . 60.5 m95 -73.36 -103.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 164.52 174.88 34.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.425 1.078 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.9 m -63.96 69.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 110.366 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 84' ' ' GLY . 9.5 p -109.77 165.0 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.19 112.16 16.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.54 ' O ' ' N ' ' A' ' 91' ' ' ALA . 1.2 p -67.36 -29.02 68.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 108.27 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.403 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -47.03 -23.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.451 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.404 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -75.12 -24.72 58.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.424 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.898 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -123.42 10.93 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.607 1.192 . . . . 0.0 109.308 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 43.33 91.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.634 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 1.7 p -70.99 -170.74 0.47 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 108.328 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 17.1 pm0 -145.08 149.18 34.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.636 HG21 ' HA ' ' A' ' 69' ' ' VAL . 87.5 t -126.64 114.35 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -132.33 157.74 22.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.409 1.068 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.693 ' CD2' HG12 ' A' ' 55' ' ' VAL . 0.4 OUTLIER -92.08 151.97 20.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 0.763 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -134.85 146.02 48.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -100.05 174.14 6.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.94 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.66 36.13 0.79 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.53 1.143 . . . . 0.0 109.22 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -166.11 -40.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.527 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -81.84 -55.76 3.08 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.584 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.5 OUTLIER 38.61 -164.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 0.801 . . . . 0.0 109.302 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.584 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 94.92 176.15 38.06 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.471 1.107 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.56 42.6 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.477 1.777 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -109.64 -67.2 1.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.99 18.29 5.59 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 108' ' ' VAL . 3.5 t -76.25 75.01 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.02 112.85 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 1.009 HG21 HG11 ' A' ' 69' ' ' VAL . 6.7 mt -111.07 146.57 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.224 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.516 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -87.7 105.53 17.43 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.156 ' CE2' HG12 ' A' ' 69' ' ' VAL . 17.6 m-85 -96.62 132.57 42.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.098 . . . . 0.0 109.342 179.995 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.937 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . -73.34 -176.62 0.48 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.415 1.072 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 1.025 ' O ' HG23 ' A' ' 4' ' ' THR . 18.5 Cg_endo -75.02 -104.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.04 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 1.025 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 170.16 174.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.374 -179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . . . -104.97 170.62 7.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.765 ' O ' HG13 ' A' ' 21' ' ' VAL . 34.4 p -152.06 156.04 39.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.048 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.3 t -107.75 136.54 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.543 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.06 -59.29 0.81 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 -179.943 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.048 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.9 -161.28 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.78 . . . . 0.0 111.045 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.0 t -152.22 20.48 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.946 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.607 ' O ' HD12 ' A' ' 13' ' ' LEU . 51.9 p -171.78 60.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.623 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -40.6 -26.98 0.15 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.63 1.206 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 11' ' ' SER . 1.2 mt 50.61 -82.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 0.758 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.623 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -40.65 117.22 0.8 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.525 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 65.7 t0 -53.17 108.74 0.35 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.435 1.084 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 90.36 34.58 7.95 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.74 ' O ' HG23 ' A' ' 69' ' ' VAL . 1.8 m -64.28 85.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.794 . . . . 0.0 110.412 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.554 HG22 ' CB ' ' A' ' 68' ' ' THR . 3.3 t -70.8 88.6 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.557 1.161 . . . . 0.0 109.242 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -113.0 170.24 4.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.383 179.851 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 mtpt -61.84 141.03 58.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.872 HG22 HG13 ' A' ' 7' ' ' VAL . 66.8 t -142.09 140.8 29.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -139.1 160.62 39.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 109.201 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.872 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 92.68 -171.24 33.03 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.538 1.149 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.778 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 147.0 -144.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.52 0.777 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.414 ' C ' ' HD2' ' A' ' 3' ' ' PRO . . . -71.05 0.96 27.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.578 HD11 ' OD1' ' A' ' 60' ' ' ASN . 1.3 tp 43.78 64.15 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.399 0.706 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.708 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 11.7 tp60 -79.78 -99.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.363 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 161.26 74.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.75 69.25 1.43 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.1 m -155.43 160.35 40.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 0.743 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.2 151.76 22.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.245 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.803 ' HB3' HD22 ' A' ' 97' ' ' LEU . 1.1 m-85 -151.46 80.02 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.9 OUTLIER -58.97 129.89 44.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.566 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 27.5 t -64.95 160.52 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -150.54 153.01 24.78 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.874 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -148.67 121.18 8.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.33 179.948 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 25.2 m -125.52 178.41 5.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.568 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -146.42 110.74 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -85.73 123.29 30.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 108.027 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.751 HG11 ' CZ2' ' A' ' 83' ' ' TRP . 79.1 t -110.3 -27.97 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.552 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -164.62 -165.17 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.6 m -60.88 -53.21 60.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.163 . . . . 0.0 110.416 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.15 27.97 8.25 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.428 1.08 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.491 HG12 ' HB ' ' A' ' 40' ' ' VAL . 5.3 t -121.18 43.34 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 39' ' ' TRP . 1.5 tt -94.58 97.61 10.25 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.562 ' HB1' ' N ' ' A' ' 76' ' ' PHE . . . -87.79 110.45 20.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 1.1 m -85.99 162.03 18.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.562 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 15.3 t-20 -115.27 88.93 19.49 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 38.84 0.55 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -138.34 7.95 2.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.508 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -38.86 -42.68 0.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.49 -60.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.566 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.8 m -34.24 151.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.407 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 63.4 p -164.56 143.39 7.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.969 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.4 p -148.91 -156.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.728 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.2 m -142.14 168.79 18.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.405 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.585 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -78.3 -177.77 5.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.704 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.3 p30 -139.04 134.44 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.704 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.23 81.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.357 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.632 ' N ' ' O ' ' A' ' 58' ' ' ASP . 6.2 t30 147.59 -35.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.585 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 117.44 -4.53 17.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.484 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -78.52 131.28 36.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 0.773 . . . . 0.0 109.962 -179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.872 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -77.56 164.94 24.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.7 p -162.17 113.38 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.007 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.969 ' HB ' HG21 ' A' ' 55' ' ' VAL . 0.4 OUTLIER 175.47 175.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.561 ' N ' HG23 ' A' ' 65' ' ' THR . 19.2 m -89.7 125.53 35.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.967 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.851 ' HB2' HG21 ' A' ' 21' ' ' VAL . 7.7 mp -113.83 136.29 53.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.559 ' O ' HG23 ' A' ' 68' ' ' THR . 7.4 t -82.57 100.54 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.297 -179.88 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.128 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.6 t -70.11 64.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.229 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.539 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -46.51 130.89 11.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 0.0 110.234 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.619 ' CG ' ' CG2' ' A' ' 89' ' ' THR . 2.3 ttm180 -90.7 -72.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 39.1 t -97.9 126.47 43.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.025 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.462 ' CD1' ' ND2' ' A' ' 48' ' ' ASN . 37.5 p90 -163.68 -174.7 3.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 74' ' ' GLU . 4.0 pt-20 -96.61 118.04 32.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.495 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -113.57 153.86 17.31 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.562 ' N ' ' HB1' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -145.47 142.02 28.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.78 . . . . 0.0 110.995 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.659 HD22 ' HB ' ' A' ' 81' ' ' THR . 11.2 mp -57.23 -61.95 2.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.615 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.4 t80 154.59 -27.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 t0 174.94 60.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.65 -61.64 0.05 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.659 ' HB ' HD22 ' A' ' 77' ' ' LEU . 18.8 m -135.62 171.45 14.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 0.728 . . . . 0.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 8.3 ptt180 -159.22 149.05 18.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 110.248 179.926 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.751 ' CZ2' HG11 ' A' ' 40' ' ' VAL . 94.2 m95 -93.85 -74.99 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 107.999 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.592 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 84.1 142.23 5.22 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.494 1.121 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 20.57 80.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 0.757 . . . . 0.0 110.353 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.02 153.65 10.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.403 ' O ' ' HB ' ' A' ' 90' ' ' THR . 2.5 p30 -78.43 112.75 15.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.46 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . 0.6 OUTLIER -64.37 -25.74 68.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 108.341 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.619 ' CG2' ' CG ' ' A' ' 71' ' ' ARG . 4.7 p -50.57 -21.58 1.61 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 0.0 110.387 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -75.52 -23.27 56.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.376 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -130.89 18.26 5.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.261 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.476 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 33.82 80.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.613 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 1.7 p -54.49 -174.77 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 108.361 -179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.457 ' OE1' ' N ' ' A' ' 94' ' ' GLN . 18.7 pm0 -144.59 144.16 31.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.032 ' O ' HG12 ' A' ' 108' ' ' VAL . 8.2 p -120.62 126.06 74.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.12 -168.86 11.39 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.438 1.086 . . . . 0.0 111.007 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -126.13 149.15 49.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 109.333 -179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -141.53 154.61 45.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -102.49 177.56 4.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.21 22.18 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.32 -44.91 0.25 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.451 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -79.08 -52.87 4.71 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.451 ' O ' ' O ' ' A' ' 102' ' ' GLY . 17.6 t30 37.89 -158.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.743 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.419 ' H ' ' ND2' ' A' ' 103' ' ' ASN . . . 93.03 156.72 33.0 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.437 1.086 . . . . 0.0 111.017 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -75.04 143.78 29.33 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.434 1.755 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.7 mt-10 161.17 72.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.411 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -104.55 175.34 22.53 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.517 1.136 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 1.032 HG12 ' O ' ' A' ' 95' ' ' VAL . 7.2 p -98.39 120.31 47.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.519 0.776 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.4 114.43 3.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.107 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.674 HG21 HG11 ' A' ' 69' ' ' VAL . 25.3 mt -117.55 154.8 19.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 109.246 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.91 102.48 15.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.015 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.128 ' CE2' HG12 ' A' ' 69' ' ' VAL . 40.2 m-85 -93.06 162.7 13.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.565 ' N ' ' HA ' ' A' ' 13' ' ' LEU . 19.0 t30 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.153 . . . . 0.0 109.331 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.647 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 1' ' ' ALA . . . 80.76 163.45 0.12 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.916 ' O ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo -74.97 105.2 2.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.505 1.792 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.916 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -176.46 144.96 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.44 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 97' ' ' LEU . . . -104.14 150.82 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.904 ' HA ' HG21 ' A' ' 108' ' ' VAL . 5.6 p -148.4 158.88 44.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.422 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.803 ' CG2' HG23 ' A' ' 19' ' ' VAL . 0.3 OUTLIER -105.56 127.15 60.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.419 1.075 . . . . 0.0 109.256 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.644 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -34.08 -62.5 0.37 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.806 ' HG2' HG21 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.05 -162.77 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.444 1.76 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.796 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.1 t 159.42 36.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.649 ' O ' HD23 ' A' ' 13' ' ' LEU . 6.6 t -166.95 138.79 3.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.94 25.85 46.57 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.575 1.172 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.727 HD12 HG21 ' A' ' 110' ' ' ILE . 6.1 mt -79.33 -95.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.76 . . . . 0.0 109.306 179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.541 ' CB ' ' HB2' ' A' ' 71' ' ' ARG . 17.3 t 48.86 -171.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.941 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.501 ' N ' ' OG ' ' A' ' 14' ' ' SER . 20.9 t0 52.07 33.21 11.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 70' ' ' ARG . . . 57.31 44.93 93.28 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 111.042 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.937 HG23 HG13 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -54.5 88.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 0.793 . . . . 0.0 110.42 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.4 t -72.18 76.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.937 HG13 HG23 ' A' ' 17' ' ' THR . 2.6 m -87.83 -170.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.374 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -92.73 138.76 31.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -126.66 142.78 42.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.909 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.52 153.82 45.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.943 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 100.61 -173.82 25.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.764 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 143.36 -159.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.46 -5.13 4.53 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.513 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.4 OUTLIER 45.9 66.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.63 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 4.6 tp60 -88.57 -100.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 166.78 78.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.42 1.075 . . . . 0.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.19 66.01 1.99 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -142.89 169.4 17.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.4 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.427 ' N ' HG23 ' A' ' 30' ' ' THR . . . -83.37 148.35 27.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.779 ' HB3' HD21 ' A' ' 97' ' ' LEU . 4.9 m-85 -145.13 76.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.49 141.53 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.791 HG13 ' CD1' ' A' ' 67' ' ' LEU . 2.3 t -79.04 150.53 5.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.534 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -123.9 -169.5 13.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 2.1 tp60 158.0 108.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 110.305 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.537 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 36.0 m -121.38 -179.45 4.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 108.284 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.954 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -143.84 97.69 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 1.033 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 2.2 t90 -61.28 125.12 22.62 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 41' ' ' ASP . 57.6 t -110.7 -104.55 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.468 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.5 t0 -60.17 -160.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 m -80.61 -37.58 30.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 110.345 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.32 27.44 6.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.154 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.006 HG13 HD13 ' A' ' 77' ' ' LEU . 39.7 t -125.86 127.76 71.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.786 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.721 HD12 ' CG ' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -136.35 99.53 4.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.809 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -69.81 89.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.537 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -74.14 158.68 33.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 108.263 -179.944 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.56 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 36.4 t30 -117.14 77.7 9.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.0 Cg_endo -75.06 35.03 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.52 1.8 . . . . 0.0 110.979 -179.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.614 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -134.11 6.62 3.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -47.88 -47.54 31.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.352 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.614 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 10.3 m-85 71.93 -40.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.547 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 2.1 m -42.21 165.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.418 1.074 . . . . 0.0 110.028 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.2 p -160.59 147.93 15.84 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.953 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.834 ' HB ' HG21 ' A' ' 65' ' ' THR . 1.4 p -135.31 164.9 32.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.479 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.7 m -127.66 152.8 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.421 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -67.09 -179.03 0.87 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.718 ' O ' ' N ' ' A' ' 60' ' ' ASN . 56.1 p30 -141.5 134.77 29.44 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.679 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -12.37 79.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.235 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.718 ' N ' ' O ' ' A' ' 58' ' ' ASP . 9.7 t30 151.3 -36.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.513 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 120.58 -13.05 10.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.6 OUTLIER -73.25 135.67 44.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 0.735 . . . . 0.0 109.989 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.943 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -82.35 157.36 23.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.49 ' O ' ' HB ' ' A' ' 65' ' ' THR . 97.3 p -160.55 119.11 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.152 . . . . 0.0 109.999 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.834 HG21 ' HB ' ' A' ' 55' ' ' VAL . 11.3 t -178.66 -138.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.658 ' N ' HG23 ' A' ' 65' ' ' THR . 41.5 m -138.7 139.9 38.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 110.021 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.791 ' CD1' HG13 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -118.78 137.01 53.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.729 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -87.11 92.5 9.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.364 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.01 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.9 t -68.14 66.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.729 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -61.79 131.78 50.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.568 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 0.1 OUTLIER -94.58 -76.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 110.279 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.79 103.96 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.001 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.653 ' CE1' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -152.23 -179.72 7.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.461 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 1.2 pm0 -110.31 98.21 7.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.79 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -84.62 158.32 33.68 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.437 1.085 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 82' ' ' ARG . 4.2 m-85 -119.91 137.26 54.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.764 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.006 HD13 HG13 ' A' ' 44' ' ' VAL . 0.5 OUTLIER -36.33 -59.47 0.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.622 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.7 t80 152.65 -28.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 t0 175.2 63.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.01 -61.89 0.06 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.57 1.169 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.511 HG22 ' N ' ' A' ' 82' ' ' ARG . 98.1 m -136.84 173.9 11.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 0.76 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.559 ' HB3' ' CE2' ' A' ' 76' ' ' PHE . 5.7 ppt_? -131.12 130.66 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.809 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 16.9 m95 -61.74 -90.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.637 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 110.44 151.56 12.94 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.771 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 16.07 77.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.575 0.809 . . . . 0.0 110.386 179.913 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.3 p -128.17 141.73 45.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.549 ' HB3' HG22 ' A' ' 89' ' ' THR . 0.4 OUTLIER -83.36 103.68 12.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.653 ' SG ' ' CE1' ' A' ' 73' ' ' PHE . 2.1 m -47.76 -40.72 21.41 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.493 1.121 . . . . 0.0 108.267 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.549 HG22 ' HB3' ' A' ' 87' ' ' ASP . 6.6 t -51.71 -21.45 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 37.1 m -84.22 -19.0 34.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 1.033 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -134.53 25.84 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.552 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 28.72 86.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.954 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -52.12 -177.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 108.252 179.982 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.499 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 19.4 pm0 -156.08 139.1 15.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.752 HG13 HD12 ' A' ' 67' ' ' LEU . 1.9 t -105.92 127.81 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -139.55 171.61 23.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.852 HD13 ' N ' ' A' ' 98' ' ' SER . 1.1 tm? -90.51 154.47 19.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.852 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -134.21 99.94 4.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -108.61 -178.31 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.234 -179.949 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.57 18.03 4.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.359 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.13 51.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -176.29 -35.0 0.05 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 111.019 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.8 p30 -42.49 166.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 124.02 -156.63 18.24 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.6 4.06 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.582 1.832 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 170.48 40.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.43 ' HA3' ' CG ' ' A' ' 94' ' ' GLN . . . -81.78 164.92 45.29 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.904 HG21 ' HA ' ' A' ' 6' ' ' THR . 42.4 t -92.03 108.12 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -54.92 100.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.799 HG21 HG11 ' A' ' 69' ' ' VAL . 4.2 mt -106.93 150.9 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.509 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -89.51 108.38 19.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 110.035 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.01 ' CE2' HG12 ' A' ' 69' ' ' VAL . 8.9 m-85 -95.67 127.91 42.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.99 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.67 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.936 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . 163.65 -58.97 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.936 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.2 Cg_endo -75.07 62.31 5.89 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.42 1.748 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.75 HG22 ' C ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER 174.25 161.31 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.515 1.135 . . . . 0.0 110.342 -179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 1.045 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -98.5 175.36 6.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.783 ' O ' HG13 ' A' ' 21' ' ' VAL . 22.5 p -152.26 153.71 34.3 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 110.419 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.837 HG22 HG22 ' A' ' 21' ' ' VAL . 43.8 t -110.44 122.56 65.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.764 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -33.16 -69.47 0.14 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.826 ' HB2' HD21 ' A' ' 13' ' ' LEU . 18.2 Cg_endo -75.02 169.06 23.44 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.472 1.774 . . . . 0.0 110.983 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.428 ' HA ' HG12 ' A' ' 110' ' ' ILE . 1.5 p -155.18 19.7 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.453 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 27.2 p 174.38 150.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.495 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 73.89 35.39 54.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.926 HD12 HG11 ' A' ' 69' ' ' VAL . 5.5 mt -99.16 -151.06 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -160.03 164.37 33.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' CB ' ' HG3' ' A' ' 71' ' ' ARG . 22.0 t0 -63.16 92.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.421 ' H ' ' HA ' ' A' ' 70' ' ' ARG . . . 109.76 32.03 3.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.709 HG21 ' HB3' ' A' ' 13' ' ' LEU . 1.1 m -77.36 78.3 3.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 0.786 . . . . 0.0 110.374 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.655 HG12 ' HB3' ' A' ' 66' ' ' SER . 10.8 t -64.81 81.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.552 1.158 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.805 HG11 ' HG3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -94.69 166.3 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -66.48 142.89 57.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.921 HG11 HD22 ' A' ' 67' ' ' LEU . 75.7 t -140.37 144.09 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -146.94 154.04 40.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.775 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 104.82 176.17 24.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 154.37 -160.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.432 0.725 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.09 -2.59 5.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.569 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 2.1 tp 47.41 68.25 0.68 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.664 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 1.1 tm0? -98.33 -86.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 164.53 84.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.645 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 71.72 6.9 64.1 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.427 ' OG1' ' OE1' ' A' ' 27' ' ' GLN . 98.3 m -65.42 167.85 8.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 0.788 . . . . 0.0 110.407 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.523 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -91.36 145.03 24.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.809 ' HD2' ' HB2' ' A' ' 63' ' ' ALA . 14.8 m-85 -142.75 77.96 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -52.1 125.27 15.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.765 HG22 HD21 ' A' ' 97' ' ' LEU . 63.5 t -68.3 152.66 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.573 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -133.51 -174.6 13.61 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.661 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -178.48 113.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 0.743 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.52 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 4.0 m -122.47 168.86 11.6 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.484 1.115 . . . . 0.0 108.295 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -139.84 110.31 6.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.488 ' O ' ' CD1' ' A' ' 39' ' ' TRP . 0.0 OUTLIER -74.98 116.03 15.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 107.974 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 t -102.42 -26.99 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.476 ' HB3' ' CG2' ' A' ' 44' ' ' VAL . 2.1 t70 -172.45 54.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.639 HG22 ' N ' ' A' ' 43' ' ' GLY . 1.1 m 63.12 -85.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.372 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.639 ' N ' HG22 ' A' ' 42' ' ' THR . . . -72.52 -2.61 55.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.386 1.054 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 41' ' ' ASP . 3.7 t -111.67 46.56 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 0.757 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -94.85 108.85 20.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 109.32 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.734 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -77.56 103.19 7.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.52 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -81.44 145.0 30.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 108.307 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.718 ' HB2' ' CE1' ' A' ' 73' ' ' PHE . 40.5 t30 -117.5 78.48 11.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.426 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -75.03 7.3 2.94 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.511 1.795 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' C ' ' N ' ' A' ' 52' ' ' PHE . . . -96.34 -2.14 46.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.61 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -38.39 -31.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.948 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.61 ' HB2' ' O ' ' A' ' 51' ' ' ASP . 7.7 m-85 65.24 -52.11 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -36.5 149.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.041 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 p -153.76 139.31 17.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.002 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.919 HG23 ' HB ' ' A' ' 65' ' ' THR . 7.7 p -122.85 153.54 27.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 57' ' ' ALA . 1.6 m -108.56 150.22 27.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 110.484 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.645 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -73.1 174.71 7.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.0 p30 -135.17 121.6 20.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.525 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.19 -88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.241 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.658 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.7 m-20 -38.34 -46.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.591 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 129.37 -1.71 6.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.455 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 49.4 m -77.54 141.71 39.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.787 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.809 ' HB2' ' HD2' ' A' ' 32' ' ' TYR . . . -79.76 159.6 26.52 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.428 ' O ' ' HB ' ' A' ' 65' ' ' THR . 79.1 p -159.05 110.43 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.014 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.919 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 178.96 174.55 0.68 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 110.426 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.655 ' HB3' HG12 ' A' ' 18' ' ' VAL . 5.6 m -92.27 131.35 37.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.963 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.921 HD22 HG11 ' A' ' 21' ' ' VAL . 5.8 mp -113.56 134.49 54.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.834 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 1.1 t -75.82 97.82 4.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 110.374 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.926 HG11 HD12 ' A' ' 13' ' ' LEU . 23.2 t -70.53 60.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.834 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -65.13 143.79 57.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.58 1.175 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.669 ' HB3' ' CG ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -111.69 -72.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 96.1 p -66.11 82.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 0.0 110.031 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CE1' ' HB2' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -137.17 150.53 47.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 -179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.419 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 16.1 pt-20 -77.75 116.57 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.333 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.582 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -113.73 158.36 14.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.571 1.169 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 4.9 m-85 -116.17 136.46 52.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.621 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 11.2 mp -39.15 -61.99 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.621 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 2.0 t80 153.56 -19.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.24 -36.68 10.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.41 -28.32 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.579 ' HB ' HD22 ' A' ' 77' ' ' LEU . 25.9 m -58.18 129.73 43.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 0.799 . . . . 0.0 110.435 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -115.67 140.0 49.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.942 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.734 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 67.9 m95 -89.93 -75.83 0.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 107.955 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 112.93 139.17 7.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.749 ' O ' HG23 ' A' ' 85' ' ' THR . 5.2 t 31.26 52.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 44.9 t -75.65 109.36 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.553 ' O ' ' N ' ' A' ' 90' ' ' THR . 31.1 m-20 -69.39 95.24 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 1.296 ' SG ' ' SG ' ' A' ' 93' ' ' CYS . 62.0 m -43.21 -48.59 6.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 108.276 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 112' ' ' PHE . 2.4 t -49.32 -28.78 5.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.473 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.553 ' N ' ' O ' ' A' ' 87' ' ' ASP . 61.9 m -69.37 -28.24 66.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.596 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -138.74 36.86 2.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.45 1.094 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.596 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 23.33 65.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 1.296 ' SG ' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -53.65 -175.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 108.305 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.539 HE21 ' N ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -138.1 161.32 37.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.661 HG23 ' HG2' ' A' ' 36' ' ' GLN . 4.7 p -132.95 110.86 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.278 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -124.48 173.24 16.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.045 HD12 ' HB2' ' A' ' 5' ' ' ALA . 12.6 mt -96.1 153.57 17.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -132.43 121.21 23.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -101.4 178.77 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 109.339 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.15 32.01 0.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -155.96 -44.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -87.1 -47.88 4.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 111.058 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.557 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.1 p30 37.63 -164.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 0.0 109.236 179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.519 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 69.99 -176.77 32.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.148 . . . . 0.0 110.961 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -166.26 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.514 1.797 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.8 -62.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 129.45 39.58 0.29 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.55 1.156 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.749 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.3 t -100.09 72.64 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 109.346 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.79 109.95 3.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.777 HG21 HD12 ' A' ' 13' ' ' LEU . 28.9 mt -110.42 143.87 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.453 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 1.1 m -93.57 108.7 20.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.94 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.823 ' CE2' HG12 ' A' ' 69' ' ' VAL . 15.5 m-85 -90.25 124.02 34.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 111.019 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 t30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.977 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.634 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.864 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . 168.05 -54.55 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.864 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 17.9 Cg_endo -75.08 132.54 15.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.476 1.777 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.748 HG22 ' C ' ' A' ' 3' ' ' PRO . 0.2 OUTLIER 166.96 171.92 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . -104.39 163.93 12.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.914 ' O ' HG13 ' A' ' 21' ' ' VAL . 18.2 p -149.45 155.12 39.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.975 HG13 HG22 ' A' ' 21' ' ' VAL . 2.3 t -96.71 135.9 29.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.54 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.6 -58.7 0.99 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 110.408 -179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.932 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.01 177.78 8.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.558 1.82 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.708 ' C ' HG23 ' A' ' 110' ' ' ILE . 24.0 p -156.03 16.88 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.44 ' N ' HG23 ' A' ' 110' ' ' ILE . 12.3 p 167.67 160.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.045 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.14 38.01 91.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.864 HD12 HG11 ' A' ' 69' ' ' VAL . 5.1 mt -91.65 -147.64 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.461 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.5 OUTLIER -158.96 163.7 36.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.96 179.94 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.512 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 35.2 t0 -58.29 95.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.538 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 93.21 38.72 5.3 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.488 1.118 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.619 ' O ' HG22 ' A' ' 17' ' ' THR . 1.0 OUTLIER -67.85 84.26 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 0.737 . . . . 0.0 110.441 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 16' ' ' GLY . 5.7 t -73.8 93.38 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.236 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.672 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -115.9 178.27 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -75.95 142.5 41.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 109.286 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.975 HG22 HG13 ' A' ' 7' ' ' VAL . 53.7 t -141.68 142.86 28.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.93 163.01 34.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.82 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 101.05 175.82 29.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 154.28 -155.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.1 -0.68 7.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.524 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.4 tp 47.31 62.92 2.18 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.498 0.764 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.483 ' CB ' ' OH ' ' A' ' 32' ' ' TYR . 7.5 tt0 -94.98 -99.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -176.6 90.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.35 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.577 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 55.8 15.68 10.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' A' ' 31' ' ' ALA . 1.7 m -70.95 169.57 14.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 0.751 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -87.61 142.9 27.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.885 ' HB3' HD23 ' A' ' 97' ' ' LEU . 11.5 m-30 -142.76 77.28 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -52.63 130.37 32.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.592 ' CG2' HD11 ' A' ' 67' ' ' LEU . 41.5 t -60.28 154.35 4.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.532 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -113.13 -81.09 1.04 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.137 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.542 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 5.4 tp60 72.88 99.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.494 0.761 . . . . 0.0 110.342 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.506 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 35.7 m -121.72 -177.28 3.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 108.297 -179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.606 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . . . -162.86 135.97 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.24 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.716 ' CG ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.61 170.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.66 HG22 ' CD1' ' A' ' 83' ' ' TRP . 69.5 t -139.4 -103.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.649 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -86.14 -171.91 3.8 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.553 1.158 . . . . 0.0 109.339 179.949 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.0 m -72.84 89.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.452 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 104.81 -4.05 42.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.558 ' CG1' ' CD1' ' A' ' 77' ' ' LEU . 12.4 t -107.64 129.78 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.438 0.728 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.716 HD12 ' CG ' ' A' ' 39' ' ' TRP . 0.5 OUTLIER -124.86 148.46 48.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.616 ' HB2' HG21 ' A' ' 40' ' ' VAL . . . -125.47 126.9 45.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.506 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.6 m -90.6 170.01 10.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 108.342 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.536 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 14.1 t30 -116.9 78.07 9.12 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.386 1.054 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.442 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.3 Cg_endo -75.08 35.23 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.497 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -128.76 -0.22 5.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 1.2 p30 -54.34 -59.51 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.544 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER 78.51 -24.08 0.23 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.593 1.183 . . . . 0.0 110.991 179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.585 ' HB3' HG21 ' A' ' 34' ' ' VAL . 1.9 m -53.54 158.18 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 110.073 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 22.5 t -155.31 143.1 19.84 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.043 HG23 ' HB ' ' A' ' 65' ' ' THR . 8.6 p -129.63 149.08 33.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 1.4 m -105.41 148.69 26.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.577 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -75.4 174.33 9.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.958 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.6 p30 -135.12 121.37 20.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.533 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.98 -89.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.075 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.642 ' N ' ' O ' ' A' ' 58' ' ' ASP . 4.7 m-20 -36.56 -46.49 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.524 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 128.89 0.46 6.04 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.119 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.466 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -78.36 137.14 37.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.049 179.925 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.82 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -76.22 158.37 31.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.5 p -157.96 112.61 2.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 1.043 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -179.22 174.95 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 75.1 m -92.04 127.52 37.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.952 -179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.793 ' HB2' HG21 ' A' ' 21' ' ' VAL . 2.3 mp -111.35 136.84 49.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.7 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -84.69 89.44 7.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.618 1.199 . . . . 0.0 110.356 -179.921 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.127 HG12 ' CE2' ' A' ' 112' ' ' PHE . 4.7 t -64.15 67.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.7 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -56.09 137.71 50.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.427 1.079 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.536 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 0.2 OUTLIER -97.19 -73.82 0.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.212 -179.908 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.491 ' HA ' ' O ' ' A' ' 86' ' ' VAL . 4.9 t -87.25 131.54 34.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.966 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 85' ' ' THR . 17.3 p90 -179.66 -165.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.625 ' HA ' ' H ' ' A' ' 85' ' ' THR . 1.2 pm0 -115.83 133.96 55.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.18 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -121.02 -175.14 15.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 1.3 m-85 -138.33 140.22 39.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.443 0.731 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.593 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 4.3 mm? -48.54 -60.95 2.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.593 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.4 t80 154.82 -20.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -97.28 -48.59 5.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.57 45.8 0.02 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.5 m -123.86 127.31 47.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -64.37 152.66 40.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.61 1.194 . . . . 0.0 110.261 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.66 ' CD1' HG22 ' A' ' 40' ' ' VAL . 42.5 t-105 -167.67 -175.56 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 88.91 -103.99 3.04 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.748 ' O ' HG23 ' A' ' 85' ' ' THR . 0.8 OUTLIER 35.47 34.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.51 0.771 . . . . 0.0 110.456 -179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 72' ' ' SER . 0.3 OUTLIER -160.94 -177.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.498 ' HB3' HG22 ' A' ' 89' ' ' THR . 90.3 m-20 -78.05 97.51 5.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.536 ' SG ' ' O ' ' A' ' 71' ' ' ARG . 3.4 p -43.99 -28.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 108.294 -179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.534 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 1.5 t -49.92 -24.55 2.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.356 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.23 -24.4 63.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.53 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -115.74 38.29 3.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.53 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 30.41 58.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.696 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -44.0 165.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 108.264 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.471 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 12.5 pm0 -141.08 153.8 45.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.338 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.532 ' CG1' HD23 ' A' ' 67' ' ' LEU . 53.7 t -126.5 126.03 68.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -152.68 173.22 31.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.583 1.177 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.034 HD22 ' N ' ' A' ' 98' ' ' SER . 0.0 OUTLIER -87.58 143.55 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 1.034 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -130.92 130.56 43.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.992 179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -98.04 170.92 8.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.992 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -84.82 10.62 11.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.68 -41.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.548 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -83.86 -57.38 2.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.548 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.8 p30 35.21 -159.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 0.748 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.491 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 81.26 -153.95 34.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.529 1.143 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 118.75 5.39 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 106' ' ' GLU . 5.4 mp0 -78.5 -99.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 94' ' ' GLN . . . 160.43 -157.11 28.48 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.8 HG12 ' O ' ' A' ' 108' ' ' VAL . 2.5 t 68.72 75.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.55 110.88 9.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.829 HG21 HD11 ' A' ' 13' ' ' LEU . 35.3 mt -114.03 147.12 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.9 OUTLIER -87.09 118.34 26.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.929 -179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.127 ' CE2' HG12 ' A' ' 69' ' ' VAL . 2.3 m-85 -97.42 17.77 16.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 39.4 t30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 179.983 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.656 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -157.29 51.46 0.5 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.308 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.809 ' O ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.97 81.37 2.22 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 111.025 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.809 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.8 OUTLIER -163.9 143.03 7.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 110.406 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.407 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -105.39 148.49 27.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.258 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.465 ' O ' ' CG2' ' A' ' 21' ' ' VAL . 5.5 p -136.07 156.56 48.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.804 HG22 ' HD2' ' A' ' 9' ' ' PRO . 2.7 p -114.64 146.34 19.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.465 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -42.45 -54.9 7.45 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.52 1.138 . . . . 0.0 110.376 179.941 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.88 ' CG ' HG21 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.94 -159.59 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.064 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 p -173.94 -24.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.506 ' O ' HD23 ' A' ' 13' ' ' LEU . 74.4 p -164.9 169.8 16.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 61.97 30.26 74.91 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.83 HD12 HG11 ' A' ' 69' ' ' VAL . 6.2 mt -88.97 -146.16 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 0.785 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.13 158.01 39.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.537 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 7.6 p-10 -57.04 100.39 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.46 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 92.0 36.76 6.23 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.036 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -69.66 84.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.36 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 16' ' ' GLY . 3.6 t -70.08 99.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.88 HG21 ' CG ' ' A' ' 9' ' ' PRO . 31.4 m -124.67 179.23 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 65' ' ' THR . 10.4 mttt -72.53 150.35 43.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.934 HG11 ' HG ' ' A' ' 67' ' ' LEU . 3.8 p -140.03 151.32 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -152.12 144.27 23.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.756 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 102.45 178.36 27.27 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.756 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 154.59 -157.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.37 0.39 3.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.437 1.086 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.609 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 4.0 tp 48.61 62.92 2.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.604 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 39.8 tp60 -83.29 -98.89 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.584 1.178 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 170.04 92.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 -179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.51 35.04 6.98 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.456 1.098 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.601 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 1.1 m -106.99 166.33 10.69 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.543 0.79 . . . . 0.0 110.419 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.465 ' N ' ' CG2' ' A' ' 30' ' ' THR . . . -70.65 146.45 49.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.617 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 2.3 m-85 -142.11 78.91 1.65 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -54.42 121.53 8.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.748 ' CG1' HD13 ' A' ' 67' ' ' LEU . 59.3 t -59.74 159.36 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.41 ' HA2' ' CG ' ' A' ' 51' ' ' ASP . . . -151.58 138.47 6.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.845 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -128.65 117.7 21.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 0.783 . . . . 0.0 110.252 -179.959 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 4.9 m -128.39 172.47 11.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.269 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.821 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -145.78 141.87 28.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.56 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -91.99 134.08 35.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 108.017 -179.96 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.671 ' HB ' HG12 ' A' ' 44' ' ' VAL . 59.0 t -99.51 -113.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.597 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -150.3 137.94 19.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 1.083 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.9 OUTLIER 68.66 84.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.4 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 42' ' ' THR . . . 32.57 37.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.083 HG23 ' O ' ' A' ' 42' ' ' THR . 55.2 t -115.41 121.0 66.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 39' ' ' TRP . 0.4 OUTLIER -141.46 120.3 12.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 109.25 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -103.9 129.62 51.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 1.1 m -97.74 161.36 13.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.612 ' OD1' ' CE1' ' A' ' 73' ' ' PHE . 3.6 t-20 -114.51 89.62 18.8 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -75.01 38.97 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.553 1.818 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.608 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -129.98 2.32 4.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -50.25 -53.45 28.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 16.3 m-85 68.37 -51.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.675 ' HB3' HG21 ' A' ' 34' ' ' VAL . 2.7 m -32.71 148.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 0.0 109.945 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.7 p -150.98 142.53 23.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.956 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.681 HG21 ' HB1' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -135.92 167.42 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.955 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.565 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.8 m -111.98 156.04 22.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.601 ' HB3' ' H ' ' A' ' 30' ' ' THR . . . -86.79 171.12 11.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.645 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.4 p30 -129.66 121.55 27.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.561 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 27.59 -89.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.645 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.4 m-20 -34.84 -47.52 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.609 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 126.39 2.94 6.83 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.5 m -86.06 142.88 28.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.956 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.681 ' HB1' HG21 ' A' ' 55' ' ' VAL . . . -76.07 158.66 31.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.503 ' O ' ' HB ' ' A' ' 65' ' ' THR . 53.4 p -161.13 110.01 1.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.558 HG23 ' N ' ' A' ' 66' ' ' SER . 5.2 t 179.16 -131.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.405 -179.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.558 ' N ' HG23 ' A' ' 65' ' ' THR . 53.8 p -140.66 126.89 19.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.934 ' HG ' HG11 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -112.01 152.61 27.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.907 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.8 t -91.48 95.73 10.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.006 HG11 HG21 ' A' ' 110' ' ' ILE . 21.2 t -66.27 65.07 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.907 ' NE ' HG23 ' A' ' 68' ' ' THR . 5.5 mtm180 -61.17 131.54 50.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.537 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 61.5 ttp180 -89.91 -76.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 86' ' ' VAL . 88.5 p -65.5 124.62 22.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.612 ' CE1' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -150.53 161.66 42.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 111.019 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.539 ' HA ' ' HA2' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -99.55 64.45 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -39.3 159.7 0.01 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.438 1.086 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 51.4 t80 -140.59 139.18 34.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.697 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 4.0 mm? -38.14 -62.94 0.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.697 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER 157.46 -25.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.931 179.94 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 4.7 t0 172.11 49.59 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -155.65 -50.25 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.118 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.522 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -164.51 169.81 16.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.62 0.835 . . . . 0.0 110.398 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.522 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.1 OUTLIER -83.54 151.27 25.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.454 ' CD1' ' HB ' ' A' ' 85' ' ' THR . 13.3 t-105 -110.48 -37.57 5.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 107.997 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.539 ' HA2' ' HA ' ' A' ' 74' ' ' GLU . . . 52.45 85.12 0.02 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.575 ' O ' ' C ' ' A' ' 86' ' ' VAL . 5.9 t -95.06 12.93 26.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 0.761 . . . . 0.0 110.421 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.761 HG13 ' N ' ' A' ' 87' ' ' ASP . 6.2 p 26.58 -139.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.54 1.15 . . . . 0.0 109.23 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.761 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.2 OUTLIER -37.69 93.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.939 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 93' ' ' CYS . 4.2 m -43.13 -33.12 0.82 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 108.336 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.479 HG22 ' CB ' ' A' ' 87' ' ' ASP . 9.7 t -49.83 -24.21 2.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.421 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 1.2 m -74.1 -25.92 60.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.48 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -129.24 19.04 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 34.22 51.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -52.19 -175.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 108.294 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.438 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 2.9 pm0 -137.68 159.37 42.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.845 HG23 ' HG2' ' A' ' 36' ' ' GLN . 10.0 p -133.41 98.55 2.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.409 ' HA3' ' HA2' ' A' ' 107' ' ' GLY . . . -118.41 -167.02 13.86 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.693 ' CD1' HD11 ' A' ' 67' ' ' LEU . 2.5 mp -103.94 161.67 13.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.1 t -157.0 120.48 4.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.617 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -100.39 178.12 4.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 109.263 -179.985 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.682 ' O ' ' HB2' ' A' ' 101' ' ' ALA . . . -99.73 48.8 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . 163.62 -22.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.43 ' HA3' ' CG ' ' A' ' 99' ' ' ASP . . . -76.5 -64.1 2.23 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 -179.95 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -170.16 -162.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 0.789 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -138.93 -88.01 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.525 1.141 . . . . 0.0 111.023 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.555 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.4 Cg_endo -74.93 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.546 1.814 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.555 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 1.5 tp10 90.72 34.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.409 ' HA2' ' HA3' ' A' ' 96' ' ' GLY . . . -75.6 -175.46 37.79 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.564 1.165 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 110' ' ' ILE . 6.3 p -102.03 126.23 56.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 0.809 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.62 109.58 4.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 1.006 HG21 HG11 ' A' ' 69' ' ' VAL . 4.8 mt -107.64 139.45 29.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -99.68 97.52 8.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 110.029 179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.916 ' CE2' HG12 ' A' ' 69' ' ' VAL . 6.1 m-85 -75.14 127.22 32.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 7.7 t-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.795 ' O ' ' CB ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.795 ' CB ' ' O ' ' A' ' 1' ' ' ALA . . . 116.88 -46.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.612 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 18.4 Cg_endo -75.06 35.78 0.43 Allowed 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.568 1.825 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -176.66 172.16 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 110.432 179.989 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.701 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -113.48 164.29 13.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.435 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 9.1 p -149.53 156.1 41.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.424 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.816 ' CG1' HD11 ' A' ' 110' ' ' ILE . 3.5 p -119.14 146.1 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.357 179.929 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.452 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.94 -54.67 1.37 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.411 1.07 . . . . 0.0 110.361 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.829 ' CG ' HG21 ' A' ' 19' ' ' VAL . 18.4 Cg_endo -74.96 -157.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.511 1.795 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.407 ' HA ' HD13 ' A' ' 110' ' ' ILE . 2.9 t 175.65 -29.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.519 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 92.1 p -155.33 151.73 28.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 76.33 22.7 72.68 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.971 HD22 HG11 ' A' ' 69' ' ' VAL . 2.1 mp -75.5 -152.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.575 0.809 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.42 159.24 35.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.955 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.54 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 17.5 t0 -55.65 96.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 96.86 37.28 4.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.885 HG21 HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -69.94 83.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 110.333 -179.889 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.54 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 5.7 t -71.13 114.95 10.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.241 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.829 HG21 ' CG ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -143.72 -178.98 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.948 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.88 146.31 33.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.777 HG12 ' O ' ' A' ' 65' ' ' THR . 0.9 OUTLIER -139.44 146.13 26.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.387 1.055 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -148.02 155.36 41.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.76 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 87.9 -176.54 45.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.11 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.793 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . 154.14 -137.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 0.737 . . . . 0.0 109.258 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.99 3.39 51.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.514 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 5.9 tp 46.72 67.5 0.77 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.561 0.801 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.69 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 3.1 tp-100 -83.54 -97.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 163.81 90.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.31 49.02 10.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.683 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.8 OUTLIER -127.9 152.67 47.56 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.467 0.745 . . . . 0.0 110.336 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.88 151.76 3.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.751 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -147.38 78.9 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 111.01 -179.954 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 98' ' ' SER . 9.5 t0 -55.43 112.72 1.18 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.972 HG21 HD21 ' A' ' 67' ' ' LEU . 33.6 t -56.33 156.93 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' HA2' ' OD2' ' A' ' 51' ' ' ASP . . . -152.82 131.75 3.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.423 1.077 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.837 ' CD ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -119.29 112.92 20.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.279 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.524 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 12.2 m -130.57 174.31 10.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 108.353 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.945 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -133.89 88.82 2.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.686 ' HB3' HD12 ' A' ' 45' ' ' LEU . 4.2 p-90 -78.2 102.03 7.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.014 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.717 HG12 ' N ' ' A' ' 41' ' ' ASP . 55.0 t -93.57 -101.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.717 ' N ' HG12 ' A' ' 40' ' ' VAL . 5.0 t0 -85.4 45.48 1.19 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.525 HG22 ' N ' ' A' ' 43' ' ' GLY . 1.0 OUTLIER 64.76 -76.04 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.525 ' N ' HG22 ' A' ' 42' ' ' THR . . . -63.55 -11.14 40.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.559 HG12 ' HE1' ' A' ' 83' ' ' TRP . 3.4 t -107.32 58.03 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -99.19 97.72 8.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.932 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -79.13 95.8 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.596 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -83.85 140.38 32.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.58 1.175 . . . . 0.0 108.258 -179.957 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.845 HD21 ' HB3' ' A' ' 50' ' ' ALA . 7.8 t30 -110.88 93.34 16.93 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.1 Cg_endo -75.02 37.12 0.46 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.442 1.759 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.845 ' HB3' HD21 ' A' ' 48' ' ' ASN . . . -126.37 -1.96 6.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.483 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -43.34 -53.83 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.368 179.944 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.48 -52.14 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 52' ' ' PHE . 11.9 m -30.48 147.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 p -147.62 138.67 23.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.69 HG22 ' H ' ' A' ' 56' ' ' THR . 4.3 p -134.49 179.44 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.69 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.2 m -130.36 150.86 51.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 110.38 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.751 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -80.83 164.2 22.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.376 179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' A' ' 60' ' ' ASN . 5.2 p30 -125.79 118.89 26.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.517 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.81 -89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.642 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.6 m-20 -38.31 -43.71 0.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.618 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 122.46 6.39 8.08 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.8 m -83.63 144.4 29.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.986 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -77.15 169.92 17.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 65' ' ' THR . 33.9 p -171.02 102.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.777 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.5 OUTLIER 177.69 171.08 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.391 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 80.8 p -86.71 124.61 33.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.035 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.972 HD21 HG21 ' A' ' 34' ' ' VAL . 9.4 mt -112.17 162.84 15.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.923 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.7 t -100.24 94.95 6.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.437 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.971 HG11 HD22 ' A' ' 13' ' ' LEU . 22.1 t -67.65 69.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.076 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.923 ' NE ' HG23 ' A' ' 68' ' ' THR . 1.5 mtm180 -68.19 139.3 56.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.54 ' CB ' ' HA ' ' A' ' 15' ' ' ASP . 31.7 ttp180 -102.33 -70.38 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.77 98.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.64 ' CE1' ' ND2' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -135.65 173.9 11.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.434 ' HB3' ' N ' ' A' ' 85' ' ' THR . 1.9 pt-20 -129.27 72.25 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 110.345 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.489 ' CA ' ' HB1' ' A' ' 46' ' ' ALA . . . -71.03 151.72 49.29 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.491 1.119 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.621 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 13.9 p90 -99.52 134.59 42.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.607 HD12 ' HB ' ' A' ' 81' ' ' THR . 31.1 mt -37.71 -61.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.601 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER 154.98 -27.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.934 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 78' ' ' PHE . 2.9 t70 174.4 66.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.51 -53.3 0.07 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.456 1.097 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.607 ' HB ' HD12 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -158.5 169.81 23.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 110.359 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.522 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.0 OUTLIER -118.57 129.69 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 110.326 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.932 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 47.7 m95 -50.95 -97.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 108.056 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.569 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 151.13 173.76 21.39 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 85' ' ' THR . 4.1 m -60.55 70.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 110.438 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.569 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.4 OUTLIER -109.21 164.98 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.966 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 90' ' ' THR . 1.3 p30 -70.91 106.75 3.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 92' ' ' ALA . 1.2 m -45.26 -39.42 6.47 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.46 1.1 . . . . 0.0 108.232 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.404 ' OG1' ' N ' ' A' ' 113' ' ' ASN . 0.5 OUTLIER -50.64 -29.87 12.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.379 -179.974 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 87' ' ' ASP . 8.9 m -74.77 -22.12 58.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -120.76 14.69 11.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 37.05 61.38 0.91 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.945 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 77.8 m -54.4 -174.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.253 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.482 ' NE2' ' CD1' ' A' ' 39' ' ' TRP . 0.2 OUTLIER -150.06 146.46 26.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.837 HG22 ' CD ' ' A' ' 36' ' ' GLN . 3.8 t -123.23 112.47 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.471 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -136.54 -175.91 14.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.443 1.09 . . . . 0.0 111.042 179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.793 HD23 ' HB2' ' A' ' 24' ' ' ALA . 1.1 mm? -100.53 144.69 29.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 0.733 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.4 OUTLIER -128.41 162.74 26.43 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.527 1.142 . . . . 0.0 110.045 179.971 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.03 175.64 10.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.62 -15.02 9.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -98.47 -10.52 23.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.52 27.4 73.51 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.446 1.091 . . . . 0.0 110.969 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -78.73 -171.58 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 53.81 82.21 0.05 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.521 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.5 Cg_endo -74.98 116.89 4.72 Favored 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.561 1.822 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 0.3 OUTLIER 158.83 -172.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.266 179.928 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.471 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . 165.64 -95.31 0.12 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 95' ' ' VAL . 9.9 p -156.84 124.02 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.558 0.799 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.2 99.24 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.97 HG23 HD13 ' A' ' 13' ' ' LEU . 6.1 mm -88.24 143.62 10.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.371 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.799 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.5 OUTLIER -120.65 87.96 2.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.911 -179.921 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.83 ' CE2' HG12 ' A' ' 69' ' ' VAL . 10.0 m-85 -70.55 4.7 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 111.088 179.891 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 111' ' ' SER . 6.4 t30 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.7 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -81.35 -50.17 0.95 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.764 ' C ' HG22 ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.01 -162.3 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.764 HG22 ' C ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 163.82 172.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.412 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.88 ' CB ' HD23 ' A' ' 97' ' ' LEU . . . -99.61 166.07 11.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.968 ' O ' HG13 ' A' ' 21' ' ' VAL . 79.0 p -154.25 152.37 30.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.014 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.8 t -100.93 136.56 31.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.581 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -37.17 -60.4 0.83 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.014 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.04 -161.58 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.466 1.772 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.456 ' HA ' ' CG1' ' A' ' 110' ' ' ILE . 1.1 m 166.54 24.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.997 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.591 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 11.9 t 170.89 155.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' C ' HD23 ' A' ' 13' ' ' LEU . . . 58.49 38.28 90.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.446 1.091 . . . . 0.0 111.031 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.922 HD13 HG21 ' A' ' 17' ' ' THR . 6.8 mt -97.31 -146.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.97 154.35 27.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.978 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.504 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 36.5 t0 -53.73 97.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.479 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 102.05 37.49 3.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.922 HG21 HD13 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -71.61 86.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 110.393 179.97 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 11.4 t -77.63 102.65 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.672 HG21 ' CG ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -128.77 177.61 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -75.35 144.18 42.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.968 HG13 ' O ' ' A' ' 6' ' ' THR . 94.8 t -142.44 143.38 26.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.14 155.59 46.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.367 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.769 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 104.05 177.26 25.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.462 1.102 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.769 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 155.1 -154.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.33 -1.13 6.94 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.478 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 5.4 tp 49.38 65.28 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.683 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 7.1 tp60 -90.59 -91.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.683 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 163.49 100.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 44.2 34.58 3.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.67 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 57.6 m -107.73 161.51 14.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.424 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.25 148.19 52.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.602 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 4.6 m-85 -150.1 78.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.4 OUTLIER -53.59 138.84 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 109.234 -179.962 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.747 HG21 ' HB3' ' A' ' 53' ' ' SER . 79.1 t -64.19 163.13 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.604 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -112.12 -92.85 2.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.445 1.091 . . . . 0.0 111.036 179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.82 ' NE2' HG22 ' A' ' 95' ' ' VAL . 6.5 tp60 77.34 99.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 110.358 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.534 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 62.4 m -125.3 -176.14 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 108.306 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -153.92 100.44 2.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.457 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 52.5 t90 -72.68 139.25 47.16 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.649 HG12 ' OD2' ' A' ' 41' ' ' ASP . 91.9 t -122.91 -104.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.649 ' OD2' HG12 ' A' ' 40' ' ' VAL . 1.1 m-20 -54.5 -169.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -78.24 -36.44 47.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 110.346 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.9 29.22 6.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.505 1.128 . . . . 0.0 110.941 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.601 HG11 ' HZ2' ' A' ' 83' ' ' TRP . 40.5 t -130.08 125.71 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 tt -136.04 104.15 5.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.075 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.616 ' HB1' ' C ' ' A' ' 75' ' ' GLY . . . -81.97 94.72 7.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.534 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -83.2 160.08 21.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.348 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.679 ' CG ' ' CD2' ' A' ' 73' ' ' PHE . 2.1 t30 -118.66 75.74 13.11 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.132 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.453 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.98 22.73 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.543 1.812 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.496 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -123.29 3.78 9.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 4.8 p-10 -37.55 -44.08 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.538 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.6 OUTLIER 77.73 -22.19 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 111.029 -179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.747 ' HB3' HG21 ' A' ' 34' ' ' VAL . 4.0 m -69.86 154.7 41.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.957 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 57.5 p -156.69 151.87 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.959 ' CG1' HD11 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -138.36 166.55 23.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 109.33 179.959 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.523 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 1.1 m -110.79 149.73 30.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.429 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.67 ' HB3' ' H ' ' A' ' 30' ' ' THR . . . -81.52 160.19 23.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.6 p30 -121.13 119.93 33.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.501 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 32.1 -91.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.605 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.3 t-20 -36.11 -44.35 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.924 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.603 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 122.98 8.5 6.63 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 3.3 m -84.22 130.96 34.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.03 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.763 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -66.17 157.22 31.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.372 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.421 ' H ' ' CG2' ' A' ' 55' ' ' VAL . 5.2 p -156.59 108.3 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.972 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.458 ' CG2' ' HB ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER 179.02 173.4 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 179.974 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 49.0 m -87.79 118.75 27.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 0.0 110.063 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.803 ' HB2' HG21 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -96.91 147.8 23.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.954 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.744 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 1.1 t -91.33 86.13 6.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.423 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.969 HG11 HG21 ' A' ' 110' ' ' ILE . 19.3 t -65.63 69.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.744 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -72.82 135.71 45.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.561 1.163 . . . . 0.0 110.357 179.926 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.575 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 11.1 ttm180 -85.98 -68.98 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.592 1.183 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.28 99.93 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.692 ' CE2' ' HG2' ' A' ' 36' ' ' GLN . 0.0 OUTLIER -133.16 157.73 44.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.961 180.0 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.523 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 3.5 pm0 -97.16 80.03 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.616 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -70.55 149.05 46.23 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 82' ' ' ARG . 9.5 m-85 -120.36 130.73 54.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.666 HD22 ' HB ' ' A' ' 81' ' ' THR . 11.0 mp -37.94 -67.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.611 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER 154.4 -23.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.397 1.06 . . . . 0.0 111.021 -179.98 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -91.6 -35.57 14.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 166.4 -27.07 0.17 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.666 ' HB ' HD22 ' A' ' 77' ' ' LEU . 85.9 m -70.84 157.29 38.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 0.781 . . . . 0.0 110.368 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.554 ' HB3' ' CD2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -158.3 153.43 25.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.955 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.603 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 50.4 m95 -83.52 -52.98 6.02 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.523 ' HA2' ' CB ' ' A' ' 74' ' ' GLU . . . 84.22 140.65 4.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.777 ' O ' HG23 ' A' ' 85' ' ' THR . 1.4 t 33.28 43.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 0.75 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -82.83 137.05 21.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 90' ' ' THR . 1.5 m-20 -73.62 102.4 3.89 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 1.186 ' SG ' ' SG ' ' A' ' 93' ' ' CYS . 1.7 m -48.92 -38.82 23.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 108.271 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.436 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -63.32 -30.22 71.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 110.374 -179.952 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 87' ' ' ASP . 21.0 m -73.21 -29.52 62.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.522 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -119.64 24.72 10.46 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.594 1.183 . . . . 0.0 109.342 179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 31.31 54.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 1.186 ' SG ' ' SG ' ' A' ' 88' ' ' CYS . 0.5 OUTLIER -52.51 -176.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 108.303 179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -144.77 163.23 34.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.262 179.943 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.82 HG22 ' NE2' ' A' ' 36' ' ' GLN . 59.4 t -129.47 107.97 15.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -121.39 -163.2 11.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.959 HD11 ' CG1' ' A' ' 55' ' ' VAL . 3.0 mm? -118.79 166.64 12.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.4 146.29 28.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.95 179.913 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -110.75 177.82 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.58 31.69 0.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -155.91 -44.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.555 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -80.33 -53.39 4.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.555 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.5 p30 37.06 -162.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.255 179.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.514 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 80.16 -162.84 46.57 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 164.73 32.85 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.55 1.816 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -134.01 -81.56 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.734 ' C ' HG23 ' A' ' 108' ' ' VAL . . . 154.03 -159.35 28.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.128 . . . . 0.0 111.042 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.734 HG23 ' C ' ' A' ' 107' ' ' GLY . 2.9 t 86.72 74.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.773 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.26 105.05 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.969 HG21 HG11 ' A' ' 69' ' ' VAL . 3.4 mt -98.9 119.53 47.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.591 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -82.43 100.24 9.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.012 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.825 ' CE2' HG12 ' A' ' 69' ' ' VAL . 51.1 m-85 -80.45 12.66 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.324 179.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.85 161.11 32.35 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.913 ' O ' HG23 ' A' ' 4' ' ' THR . 18.4 Cg_endo -74.98 127.98 11.14 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.913 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -175.41 148.06 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.433 1.083 . . . . 0.0 110.362 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.437 ' C ' ' CG2' ' A' ' 6' ' ' THR . . . -90.61 175.79 6.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.251 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.793 ' HA ' HG21 ' A' ' 108' ' ' VAL . 45.6 p -152.14 149.74 29.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.363 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.868 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -129.29 146.31 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.486 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -43.81 -56.29 7.61 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.868 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.94 -157.05 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.557 1.82 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 110' ' ' ILE . 2.6 p -158.47 -27.03 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.54 ' O ' HD23 ' A' ' 13' ' ' LEU . 63.0 p -165.39 175.56 9.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.039 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 56.52 33.79 62.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.457 1.098 . . . . 0.0 111.057 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.004 HD11 HG21 ' A' ' 110' ' ' ILE . 4.6 mt -67.68 -142.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.303 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.3 OUTLIER -161.06 157.27 25.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.979 179.998 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.45 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 33.6 t70 -51.94 91.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.669 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 90.54 44.89 4.47 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.731 ' O ' HG22 ' A' ' 17' ' ' THR . 0.9 OUTLIER -64.01 77.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.563 0.802 . . . . 0.0 110.397 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 16' ' ' GLY . 8.5 t -67.86 98.13 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.542 HG22 ' O ' ' A' ' 17' ' ' THR . 4.0 m -131.59 177.61 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -69.38 136.54 51.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.741 ' CG2' HG13 ' A' ' 7' ' ' VAL . 38.6 t -138.81 137.68 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -138.59 162.9 33.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.785 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 87.15 -176.12 46.84 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.785 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 148.52 -144.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 0.795 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.63 -0.31 8.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.57 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER 49.49 51.87 15.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 0.74 . . . . 0.0 109.276 179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.598 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 58.2 tp60 -65.42 -99.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 168.71 88.23 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 41.14 47.57 4.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.411 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 1.0 OUTLIER -125.63 154.28 42.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 0.0 110.445 179.938 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.73 146.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.71 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -153.19 80.45 1.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.939 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 98' ' ' SER . 2.9 t70 -57.17 130.23 45.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.745 HG22 HD21 ' A' ' 67' ' ' LEU . 37.4 t -66.31 141.87 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.32 145.49 14.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.138 . . . . 0.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.557 ' HG3' HG23 ' A' ' 95' ' ' VAL . 1.0 OUTLIER -131.73 119.06 20.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.467 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 4.8 m -127.11 174.26 9.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 108.318 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.732 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -150.8 166.74 29.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -90.34 150.58 21.84 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.904 HG13 ' CZ2' ' A' ' 83' ' ' TRP . 2.1 t -119.53 -143.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.35 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.694 ' O ' HG22 ' A' ' 42' ' ' THR . 0.3 OUTLIER -115.13 138.5 50.83 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.868 HG22 HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER 83.94 20.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.441 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.63 1.42 90.16 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.471 1.107 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.868 HG23 HG22 ' A' ' 42' ' ' THR . 13.1 t -65.84 148.54 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.454 0.737 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.14 127.33 48.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' CD1' ' A' ' 83' ' ' TRP . . . -108.53 112.01 24.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.467 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -88.57 160.02 17.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.1 . . . . 0.0 108.29 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 8.4 t-20 -112.68 94.36 28.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 42.49 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.576 1.83 . . . . 0.0 110.972 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -131.54 0.54 4.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.522 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -47.5 -57.69 5.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.463 ' O ' ' O ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.57 -56.57 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 111.028 -180.0 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.538 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.0 m -36.01 156.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.962 -179.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.449 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 24.1 p -159.19 145.84 16.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.904 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.0 p -149.69 -160.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.728 ' H ' HG22 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -141.83 159.35 42.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.37 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.71 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -82.2 178.05 8.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.658 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.9 p30 -131.42 119.85 22.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.94 -88.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.658 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.9 m120 -35.93 -45.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.613 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 124.33 5.6 7.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.483 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -87.77 139.53 30.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 110.009 -180.0 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.83 ' HB3' HD23 ' A' ' 97' ' ' LEU . . . -73.39 170.37 15.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' A' ' 65' ' ' THR . 6.1 p -169.28 102.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 110.041 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.904 ' HB ' HG21 ' A' ' 55' ' ' VAL . 1.3 t -178.37 173.69 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.361 -179.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.447 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 42.8 m -84.67 105.74 15.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.039 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.745 HD21 HG22 ' A' ' 34' ' ' VAL . 6.7 mp -100.09 151.56 21.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.652 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.6 OUTLIER -90.32 94.95 9.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.162 . . . . 0.0 110.359 -179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.864 HG21 HG11 ' A' ' 7' ' ' VAL . 2.9 t -69.66 62.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.652 ' NE ' ' O ' ' A' ' 68' ' ' THR . 1.7 mtm180 -38.3 157.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.542 ' CG ' ' HB2' ' A' ' 112' ' ' PHE . 1.3 ttt180 -111.88 -64.3 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.427 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 13.3 p -119.28 158.57 25.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.431 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 2.9 p90 168.23 -168.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.682 ' HA ' ' H ' ' A' ' 85' ' ' THR . 1.2 pm0 -97.5 106.36 18.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.363 179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 83' ' ' TRP . . . -80.58 169.27 52.24 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.403 1.064 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -141.79 138.96 32.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 111.026 -179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.562 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 3.7 mm? -54.61 -63.42 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER 157.82 -20.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 111.034 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -97.03 -47.54 5.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 159.14 46.2 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.2 m -124.27 127.87 48.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.402 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 158.43 6.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.904 ' CZ2' HG13 ' A' ' 40' ' ' VAL . 69.8 t-105 -169.27 177.43 4.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 0.0 108.047 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 59.1 -76.75 0.01 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.682 ' H ' ' HA ' ' A' ' 74' ' ' GLU . 12.9 t 37.54 29.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.419 0.717 . . . . 0.0 110.389 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.775 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.3 OUTLIER 179.42 -164.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.775 ' N ' HG13 ' A' ' 86' ' ' VAL . 1.8 m-20 -45.03 122.38 3.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.26 -179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.54 ' SG ' ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -93.58 -29.17 15.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 108.325 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.577 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 10.4 t -48.43 -33.62 9.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 0.0 110.443 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.14 -26.23 66.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -102.56 17.99 22.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 35.53 61.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.23 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.732 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 2.7 m -64.3 172.06 2.73 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 108.25 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.467 ' HG3' ' CB ' ' A' ' 106' ' ' GLU . 7.3 pm0 -140.52 159.02 43.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.361 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.611 HG22 HD23 ' A' ' 67' ' ' LEU . 14.3 p -129.36 104.4 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -126.48 164.38 20.07 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.83 HD23 ' HB3' ' A' ' 63' ' ' ALA . 1.3 mm? -86.52 136.61 33.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.497 ' HB3' ' CA ' ' A' ' 104' ' ' GLY . 0.1 OUTLIER -139.55 149.78 44.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.927 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -77.19 163.42 26.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.776 ' O ' ' HB2' ' A' ' 101' ' ' ALA . . . -83.21 30.61 0.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . 153.77 39.81 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.427 1.079 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -126.08 -62.09 0.16 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 98' ' ' SER . 9.9 t-20 177.92 -165.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.454 0.737 . . . . 0.0 109.357 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.497 ' CA ' ' HB3' ' A' ' 98' ' ' SER . . . 170.36 64.07 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.554 1.159 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' GLU . 18.2 Cg_endo -74.98 105.18 2.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.555 1.819 . . . . 0.0 111.045 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.467 ' CB ' ' HG3' ' A' ' 94' ' ' GLN . 2.3 mt-10 38.14 -102.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 131.48 -80.45 0.34 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.793 HG21 ' HA ' ' A' ' 6' ' ' THR . 3.8 p -147.89 106.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 109.316 -179.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.428 ' CA ' ' HB3' ' A' ' 94' ' ' GLN . . . -87.94 117.77 27.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 1.004 HG21 HD11 ' A' ' 13' ' ' LEU . 7.7 mt -126.0 157.32 36.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER -91.67 103.49 16.07 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.99 179.934 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.61 ' CE1' HG12 ' A' ' 69' ' ' VAL . 1.0 OUTLIER -85.21 136.35 33.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 111.044 179.956 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.447 ' C ' ' NE ' ' A' ' 71' ' ' ARG . 1.6 m120 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.932 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -87.88 -58.68 0.27 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.971 ' O ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.0 166.21 29.69 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.971 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 178.41 160.5 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.446 -179.987 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.688 ' HB1' HD23 ' A' ' 97' ' ' LEU . . . -106.92 158.0 17.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.569 1.168 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.529 ' O ' HG13 ' A' ' 21' ' ' VAL . 6.9 p -151.63 160.52 43.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.082 HG12 ' HD2' ' A' ' 9' ' ' PRO . 6.6 t -113.14 135.4 52.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.612 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -36.48 -62.06 0.56 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.37 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.082 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.02 -157.99 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.26 38.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.997 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 110' ' ' ILE . 16.7 p -154.84 103.28 2.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.656 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -72.39 4.08 21.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.484 1.115 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.656 ' C ' ' O ' ' A' ' 12' ' ' GLY . 8.9 mt -15.65 -59.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.43 0.724 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -74.63 123.57 25.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.965 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.532 ' HA ' ' HG2' ' A' ' 71' ' ' ARG . 10.8 p30 -62.98 94.25 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 98.14 36.86 4.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.849 ' O ' HG23 ' A' ' 69' ' ' VAL . 89.8 m -58.16 83.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 110.425 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 16' ' ' GLY . 2.8 t -70.03 77.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.274 -179.949 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.845 HG13 HG22 ' A' ' 17' ' ' THR . 14.2 m -103.14 173.08 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.186 -179.908 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -61.28 145.2 52.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.235 -179.958 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.89 HG21 ' HB2' ' A' ' 67' ' ' LEU . 27.3 t -143.78 146.09 21.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.142 . . . . 0.0 109.254 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -149.23 154.56 39.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.372 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.759 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 100.97 175.58 29.22 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.547 1.154 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 157.15 -155.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.226 179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.66 -0.59 8.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.555 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 3.8 tp 49.72 65.76 1.32 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 0.788 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.659 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -89.56 -90.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.29 -179.968 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 165.05 97.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 40.07 34.0 0.53 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.501 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.6 OUTLIER -102.84 154.38 19.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.44 0.729 . . . . 0.0 110.407 179.99 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.61 146.2 10.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.385 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.885 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 3.0 m-85 -150.77 81.7 1.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 111.009 -179.928 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.01 132.35 53.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.573 1.171 . . . . 0.0 109.357 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.093 HG13 HD13 ' A' ' 67' ' ' LEU . 59.7 t -71.81 147.31 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.527 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -128.52 -171.62 13.03 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.531 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 171.67 109.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.243 -179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 14.9 m -119.36 170.62 8.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -134.75 176.12 8.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 44' ' ' VAL . 1.8 t90 -120.56 147.22 45.46 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.653 HG12 ' N ' ' A' ' 41' ' ' ASP . 95.9 t -133.65 -108.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.653 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -57.64 178.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.083 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 m -69.24 88.71 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 110.382 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 108.24 -14.4 36.6 Favored Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.445 1.091 . . . . 0.0 111.068 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.712 HG13 HD23 ' A' ' 77' ' ' LEU . 24.5 t -72.66 140.2 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 0.724 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 77' ' ' LEU . 1.6 tp -131.51 135.87 47.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.236 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.865 ' HB1' ' HA3' ' A' ' 75' ' ' GLY . . . -114.3 92.26 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.539 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -69.82 155.81 39.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 108.36 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 30.9 t-20 -112.62 87.7 10.18 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.398 1.061 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.98 35.0 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -135.59 5.96 3.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.411 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 1.9 m-20 -45.88 -46.69 15.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.69 -56.48 0.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 179.963 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.571 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.3 m -32.82 147.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.481 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 60.8 p -158.57 148.49 19.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.854 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.2 p -151.16 -162.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 109.218 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.644 ' H ' HG22 ' A' ' 55' ' ' VAL . 12.8 m -138.18 170.96 15.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.43 1.081 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.885 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -89.4 177.13 6.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.622 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.1 p30 -132.6 120.59 22.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.241 179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 31.07 -90.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.622 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.3 m-20 -35.44 -46.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.607 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 125.09 7.15 6.06 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.7 OUTLIER -87.86 141.36 28.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 110.02 -179.986 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -75.19 165.42 25.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.512 ' O ' ' HB ' ' A' ' 65' ' ' THR . 3.5 p -164.41 107.23 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.456 1.098 . . . . 0.0 109.966 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.854 ' HB ' HG21 ' A' ' 55' ' ' VAL . 8.9 t 179.26 -179.35 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 110.363 -179.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 4.5 m -91.0 123.76 34.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.022 179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.093 HD13 HG13 ' A' ' 34' ' ' VAL . 4.2 mt -113.18 138.46 49.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.623 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 8.9 t -82.9 109.53 17.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.445 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.112 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.1 t -80.68 65.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.623 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -61.57 124.47 20.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.171 . . . . 0.0 110.288 179.974 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.556 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -83.31 -75.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.552 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 64.8 p -84.64 120.18 26.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.563 ' CD2' ' HG3' ' A' ' 70' ' ' ARG . 8.4 p90 -163.65 179.27 7.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.38 128.43 33.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.865 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -116.21 159.57 13.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 45.4 t80 -133.12 132.05 41.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.712 HD23 HG13 ' A' ' 44' ' ' VAL . 8.3 mt -40.43 -59.59 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.633 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.6 OUTLIER 152.01 -26.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 110.956 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.448 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 4.5 t0 173.42 51.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.95 -52.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.672 ' CB ' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -153.25 169.29 23.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 110.361 -179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.475 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.2 OUTLIER -122.56 124.22 43.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.968 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.703 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 7.7 m95 -63.28 -86.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 108.002 -179.936 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.541 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 102.66 141.67 11.73 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 85' ' ' THR . 0.7 OUTLIER 26.57 88.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 0.719 . . . . 0.0 110.432 -179.937 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.79 133.5 11.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.3 OUTLIER -72.78 105.83 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . 0.5 OUTLIER -68.11 -26.45 65.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 108.324 179.985 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.554 HG21 ' HB3' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -53.56 -18.29 2.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.392 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.7 OUTLIER -79.68 -19.78 48.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.435 1.084 . . . . 0.0 110.377 -179.988 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 39' ' ' TRP . . . -135.55 24.08 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 32.27 90.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.656 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 1.1 p -63.22 -172.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 1.3 pm0 -142.4 146.95 35.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.75 HG12 HD12 ' A' ' 110' ' ' ILE . 12.1 p -122.62 126.29 73.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.498 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -142.57 175.34 22.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' A' ' 32' ' ' TYR . 4.6 mm? -96.08 147.81 23.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.82 152.91 50.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.979 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.1 179.98 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.78 -14.13 13.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -99.21 -7.14 26.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.22 30.36 71.75 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.422 1.076 . . . . 0.0 110.992 -179.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -97.46 -171.76 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.521 ' N ' ' HD3' ' A' ' 105' ' ' PRO . . . 63.4 58.03 12.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 104' ' ' GLY . 18.3 Cg_endo -74.99 -172.71 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.443 1.76 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.62 71.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.498 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . -71.18 -84.69 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 95' ' ' VAL . 7.9 p -175.4 134.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -74.77 115.32 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.13 . . . . 0.0 109.254 -179.944 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 1.05 HG21 HG11 ' A' ' 69' ' ' VAL . 26.2 mt -112.61 150.26 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -81.3 84.16 6.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.412 1.07 . . . . 0.0 109.989 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.112 ' CE2' HG12 ' A' ' 69' ' ' VAL . 95.6 m-85 -78.45 137.53 38.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.554 ' HB3' HG21 ' A' ' 89' ' ' THR . 2.5 t30 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.422 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . -144.9 161.77 41.28 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.561 ' O ' ' CB ' ' A' ' 4' ' ' THR . 18.5 Cg_endo -74.97 -38.36 1.64 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.446 1.761 . . . . 0.0 111.016 179.904 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.561 ' CB ' ' O ' ' A' ' 3' ' ' PRO . 2.0 m 87.21 168.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.757 ' HB3' ' HA2' ' A' ' 96' ' ' GLY . . . -86.45 143.32 27.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.897 ' HA ' HG11 ' A' ' 108' ' ' VAL . 15.3 p -149.03 154.48 39.37 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 1.143 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.941 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -107.69 131.71 57.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.461 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -35.23 -54.78 1.1 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.39 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.941 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.98 163.13 35.98 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.53 1.806 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.632 ' HA ' HG23 ' A' ' 110' ' ' ILE . 93.6 p -125.73 2.79 7.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.483 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 99.7 p -164.0 160.84 22.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.517 ' C ' ' H ' ' A' ' 14' ' ' SER . . . 47.94 46.81 26.05 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.555 1.159 . . . . 0.0 111.044 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.074 HD21 HG21 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -66.23 1.86 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.544 ' O ' ' O ' ' A' ' 13' ' ' LEU . 1.2 t 56.3 134.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 109.986 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.549 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -68.32 109.13 3.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.965 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.01 31.31 29.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.597 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -102.07 106.52 17.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.404 179.998 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.903 HG12 ' HB2' ' A' ' 66' ' ' SER . 2.1 t -79.59 102.6 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.485 HG23 ' CG1' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -108.83 168.93 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.97 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 120.22 11.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 6' ' ' THR . 73.7 t -124.03 138.2 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -136.34 159.89 40.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.881 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 96.05 -175.03 31.94 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.459 1.1 . . . . 0.0 110.944 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.771 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 146.71 -157.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 0.807 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.87 -3.45 4.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.717 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.6 OUTLIER 48.26 65.72 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.319 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.64 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.9 tp60 -72.63 -104.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.411 1.069 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 167.17 55.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.28 71.93 1.29 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.464 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.6 OUTLIER -160.0 160.88 33.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 0.74 . . . . 0.0 110.384 179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.75 153.55 16.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.53 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -149.19 80.05 1.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.553 1.158 . . . . 0.0 111.033 179.904 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -54.91 127.91 30.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.587 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 38.0 t -68.8 149.51 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -127.21 -158.43 9.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.871 ' CG ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 163.19 117.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.484 0.755 . . . . 0.0 110.368 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.452 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 17.8 m -125.17 -176.88 3.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 108.295 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.535 ' HB1' ' SG ' ' A' ' 88' ' ' CYS . . . -147.94 145.44 28.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.983 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 10.2 m95 -91.26 122.72 34.13 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.013 HG22 ' NE1' ' A' ' 83' ' ' TRP . 51.4 t -86.0 -114.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.58 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -91.21 40.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 180.0 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.506 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.8 OUTLIER 67.92 -62.94 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 110.383 -179.955 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.506 ' N ' HG22 ' A' ' 42' ' ' THR . . . -68.84 -5.63 47.25 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.864 ' CG1' HD21 ' A' ' 77' ' ' LEU . 45.1 t -130.04 134.73 62.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 0.806 . . . . 0.0 109.359 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.576 HD21 HE22 ' A' ' 94' ' ' GLN . 0.6 OUTLIER -133.06 132.85 42.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.958 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.521 ' CB ' ' HB3' ' A' ' 83' ' ' TRP . . . -118.94 127.98 53.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.452 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -93.25 163.84 13.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 108.297 -179.985 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.521 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 6.7 t-20 -113.04 92.83 22.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.94 40.87 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.453 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -137.59 5.85 2.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.222 -179.881 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.552 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -41.12 -50.42 3.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.55 -60.76 0.38 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.587 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.4 m -33.38 148.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.516 1.135 . . . . 0.0 109.928 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.8 t -153.91 141.58 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.881 HG21 ' CG2' ' A' ' 65' ' ' THR . 1.2 p -143.84 -157.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.699 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.8 m -145.74 169.71 17.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.427 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.718 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -81.1 177.66 8.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.707 ' O ' ' C ' ' A' ' 59' ' ' ALA . 55.5 p30 -133.47 132.33 40.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.707 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -8.23 78.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.717 ' OD1' HD11 ' A' ' 26' ' ' LEU . 8.8 t30 150.75 -37.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.718 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 120.27 -7.9 11.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.966 179.901 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -75.77 133.23 40.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 0.734 . . . . 0.0 109.948 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -79.24 160.0 27.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.51 ' O ' ' HB ' ' A' ' 65' ' ' THR . 89.7 p -165.55 114.75 1.02 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 109.929 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.881 ' CG2' HG21 ' A' ' 55' ' ' VAL . 10.1 t 179.85 -141.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.437 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.903 ' HB2' HG12 ' A' ' 18' ' ' VAL . 9.5 p -129.85 120.17 24.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.792 HD22 HG11 ' A' ' 21' ' ' VAL . 4.9 mp -115.94 138.11 51.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.796 ' HB ' HG22 ' A' ' 18' ' ' VAL . 3.8 t -80.85 101.55 9.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.051 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.3 t -68.96 60.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.724 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.2 OUTLIER -43.35 129.95 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.572 ' O ' ' CE2' ' A' ' 73' ' ' PHE . 7.5 tmm_? -99.79 -70.56 0.73 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 110.258 -179.93 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.769 ' HB2' HG22 ' A' ' 86' ' ' VAL . 90.8 p -89.72 131.38 35.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.021 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE2' ' O ' ' A' ' 71' ' ' ARG . 20.8 p90 -172.13 -169.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' HA ' ' HA3' ' A' ' 84' ' ' GLY . 3.2 pt-20 -127.39 74.16 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.676 ' H ' ' HA3' ' A' ' 84' ' ' GLY . . . -62.33 -162.48 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.452 1.095 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.55 ' CD2' ' O ' ' A' ' 81' ' ' THR . 0.4 OUTLIER -159.39 151.25 20.59 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 0.73 . . . . 0.0 110.925 -179.971 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.864 HD21 ' CG1' ' A' ' 44' ' ' VAL . 6.2 mt -67.69 -43.62 79.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.237 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.621 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 3.6 t80 85.05 8.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.27 -38.89 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.431 179.895 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.95 40.34 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.613 ' HB ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -170.69 169.1 7.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 0.78 . . . . 0.0 110.371 179.987 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.549 ' HB3' ' CE1' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -110.5 -179.52 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 1.013 ' NE1' HG22 ' A' ' 40' ' ' VAL . 20.7 t-105 -173.64 -177.27 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 107.959 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.676 ' HA3' ' H ' ' A' ' 75' ' ' GLY . . . 111.97 -57.14 0.44 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.749 ' O ' HG23 ' A' ' 85' ' ' THR . 13.5 t 30.88 68.52 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 0.809 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.871 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER 48.29 -149.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.871 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -24.06 121.72 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.586 1.179 . . . . 0.0 109.354 179.983 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.578 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -109.31 -15.94 14.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 108.227 -179.951 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 12.3 t -45.99 -23.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 -179.972 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -75.55 -23.78 56.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.426 179.953 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.983 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -101.22 -13.02 18.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 80.04 90.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.589 ' HB2' ' CZ ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -82.0 161.59 22.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 108.299 -179.992 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.576 HE22 HD21 ' A' ' 45' ' ' LEU . 14.5 pm0 -140.58 143.23 35.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.871 HG22 ' CG ' ' A' ' 36' ' ' GLN . 2.6 t -114.23 118.08 57.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.757 ' HA2' ' HB3' ' A' ' 5' ' ' ALA . . . -129.27 175.95 18.68 Favored Glycine 0 CA--C 1.531 1.089 0 O-C-N 124.547 1.154 . . . . 0.0 110.946 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.485 ' HA ' HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -102.11 156.21 17.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.344 179.967 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' ASP . 0.1 OUTLIER -133.06 150.24 52.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -103.98 -174.74 2.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.942 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.83 6.91 9.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.92 -13.02 14.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 70.3 35.2 69.48 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.416 ' O ' ' O ' ' A' ' 102' ' ' GLY . 14.7 m-20 -50.94 -177.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 0.796 . . . . 0.0 109.258 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.73 160.61 37.2 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.613 1.195 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.415 ' HG3' ' SG ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.95 -93.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.537 1.809 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.516 ' O ' ' CG2' ' A' ' 4' ' ' THR . 2.3 mt-10 60.0 44.5 13.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.533 ' CA ' ' CA ' ' A' ' 96' ' ' GLY . . . -68.38 -103.33 0.03 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 110.951 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.897 HG11 ' HA ' ' A' ' 6' ' ' THR . 3.7 p -163.29 111.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.67 97.65 1.78 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 1.074 HG21 HD21 ' A' ' 13' ' ' LEU . 24.5 mt -110.62 169.47 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.524 ' N ' HG22 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -87.56 113.78 23.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.006 179.949 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.051 ' CE2' HG12 ' A' ' 69' ' ' VAL . 4.4 m-85 -94.6 125.81 39.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 23.4 t30 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.975 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.72 95.04 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.751 ' C ' HG23 ' A' ' 4' ' ' THR . 18.1 Cg_endo -75.05 -88.04 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.5 1.79 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.751 HG23 ' C ' ' A' ' 3' ' ' PRO . 1.0 OUTLIER 67.93 157.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.406 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.594 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . -79.03 141.69 37.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.98 ' O ' HG13 ' A' ' 21' ' ' VAL . 7.4 p -144.8 154.73 42.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 110.407 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.819 ' HB ' HD11 ' A' ' 110' ' ' ILE . 53.5 t -110.09 123.77 66.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.721 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -35.29 -67.94 0.2 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.433 1.083 . . . . 0.0 110.324 -179.972 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.721 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.0 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.438 1.757 . . . . 0.0 110.994 -179.948 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 p -162.49 32.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.967 -179.962 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 111' ' ' SER . 26.5 p -137.97 77.09 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.918 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.651 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -66.91 -0.98 9.88 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.1 . . . . 0.0 111.034 179.938 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.784 HD23 ' O ' ' A' ' 111' ' ' SER . 1.6 mt -17.81 -56.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 0.774 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -66.6 115.72 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.012 179.971 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 39.7 t0 -55.16 96.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.681 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 101.17 37.72 3.51 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.447 1.092 . . . . 0.0 111.031 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.689 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -60.19 80.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.79 . . . . 0.0 110.384 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 16' ' ' GLY . 7.0 t -68.72 92.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.715 HG21 ' HG2' ' A' ' 9' ' ' PRO . 1.8 m -115.43 172.93 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.35 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -73.41 139.16 45.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.98 HG13 ' O ' ' A' ' 6' ' ' THR . 91.7 t -135.33 139.78 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -139.17 155.45 47.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.776 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 103.72 -175.45 23.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 146.49 -159.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.54 -3.92 3.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.615 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.4 OUTLIER 46.81 68.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 109.336 -179.942 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.726 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 12.8 mm-40 -80.6 -100.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 158.92 57.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.416 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . 98.57 67.55 0.89 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 31' ' ' ALA . 23.0 m -153.14 167.94 27.59 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 0.769 . . . . 0.0 110.413 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.458 ' N ' HG22 ' A' ' 30' ' ' THR . . . -78.38 152.91 32.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.569 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 15.8 m-85 -147.91 77.93 1.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.2 130.4 38.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.438 1.086 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.517 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 10.9 t -66.74 152.82 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.41 ' HA2' ' OD1' ' A' ' 51' ' ' ASP . . . -142.53 168.36 25.88 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 1.041 ' CG ' HG22 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -164.88 120.5 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.307 179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.664 ' HB3' HD21 ' A' ' 45' ' ' LEU . 11.4 m -131.96 178.86 6.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.882 ' HB2' ' SG ' ' A' ' 88' ' ' CYS . . . -145.35 113.91 6.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.885 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -88.85 134.18 34.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.586 1.179 . . . . 0.0 107.99 -179.972 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.651 HG22 ' HB1' ' A' ' 91' ' ' ALA . 43.7 t -115.82 -115.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.552 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.3 m-20 -75.26 57.07 0.85 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.468 HG22 ' N ' ' A' ' 43' ' ' GLY . 1.2 m 58.99 -77.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 41' ' ' ASP . . . -77.99 33.82 1.7 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.918 ' CG1' HG23 ' A' ' 81' ' ' THR . 62.2 t -147.22 64.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 0.795 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.885 HD12 ' HB2' ' A' ' 39' ' ' TRP . 5.3 tt -111.8 107.2 16.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.712 ' HB2' ' HB ' ' A' ' 81' ' ' THR . . . -88.64 122.98 32.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.528 ' HB2' ' CG ' ' A' ' 78' ' ' PHE . 1.1 m -90.69 156.18 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.615 ' OD1' ' CD1' ' A' ' 73' ' ' PHE . 10.9 t30 -115.55 86.71 15.76 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.353 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.661 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -74.95 37.54 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.481 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -124.76 -2.27 7.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.5 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -40.43 -51.82 2.81 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 68.17 -53.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.107 . . . . 0.0 111.037 -179.945 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.517 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.1 m -35.99 153.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.7 t -154.13 144.46 22.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.61 ' CG1' HD11 ' A' ' 97' ' ' LEU . 1.8 p -142.85 167.14 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.511 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.1 m -121.43 153.63 37.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.355 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.708 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -59.85 173.87 0.54 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.706 ' O ' ' C ' ' A' ' 59' ' ' ALA . 46.7 p30 -135.17 128.48 32.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.706 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -3.57 74.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 -179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.692 ' N ' ' O ' ' A' ' 58' ' ' ASP . 12.2 t30 156.42 -39.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.708 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 122.77 -8.18 9.36 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 1.3 t -78.68 131.47 36.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 0.803 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.9 156.73 28.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.221 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.3 p -152.41 115.71 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 179.925 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.613 HG22 ' CD1' ' A' ' 67' ' ' LEU . 0.5 OUTLIER 177.91 167.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.377 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 22.5 p -86.95 121.47 29.46 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.4 1.062 . . . . 0.0 110.019 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.765 ' HB2' HG21 ' A' ' 21' ' ' VAL . 8.0 mp -105.39 146.53 29.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.863 HG23 ' HE ' ' A' ' 70' ' ' ARG . 9.1 t -86.24 95.82 9.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.432 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.921 HG12 ' CE2' ' A' ' 112' ' ' PHE . 19.2 t -71.53 64.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.863 ' HE ' HG23 ' A' ' 68' ' ' THR . 4.1 mtm180 -48.4 142.97 5.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.253 -179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.554 ' O ' ' CB ' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -88.83 -58.02 2.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.976 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.504 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 88.1 p -126.92 157.42 39.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.99 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.653 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 31.8 p90 176.66 -165.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.548 ' HG3' ' CE1' ' A' ' 76' ' ' PHE . 4.9 pm0 -83.95 110.69 18.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 -179.951 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.11 121.01 5.89 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.597 1.186 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.661 ' CD1' ' HD2' ' A' ' 49' ' ' PRO . 22.8 m-85 -97.73 121.06 39.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 0.795 . . . . 0.0 110.942 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.88 HD23 ' N ' ' A' ' 81' ' ' THR . 1.3 mt -25.29 -78.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.528 ' CG ' ' HB2' ' A' ' 47' ' ' CYS . 11.9 t80 67.28 4.93 3.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.184 . . . . 0.0 111.027 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.7 t0 178.09 -36.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 44' ' ' VAL . . . 159.35 54.69 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.918 HG23 ' CG1' ' A' ' 44' ' ' VAL . 1.8 m -144.21 95.25 2.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.773 . . . . 0.0 110.386 179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.61 98.58 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 110.358 179.911 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.622 ' CD2' HG11 ' A' ' 86' ' ' VAL . 18.2 m95 -114.72 -82.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 108.011 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 74' ' ' GLU . . . 87.26 -33.98 3.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.677 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER -163.93 84.55 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 110.385 -179.952 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.622 HG11 ' CD2' ' A' ' 83' ' ' TRP . 0.3 OUTLIER -152.4 178.04 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.504 ' HA ' ' CB ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -83.77 144.07 29.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.882 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -96.78 -24.48 15.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 108.283 -179.936 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.469 ' CB ' ' HB2' ' A' ' 112' ' ' PHE . 13.9 t -63.03 -26.37 68.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.098 . . . . 0.0 110.34 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.09 -19.92 50.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.407 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.651 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -112.3 25.56 11.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 37.04 64.94 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.727 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -50.49 178.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 108.318 -179.94 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 17.1 pm0 -159.6 147.07 16.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 110.24 -179.932 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.041 HG22 ' CG ' ' A' ' 36' ' ' GLN . 22.1 t -118.44 121.36 66.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -134.23 -171.12 12.47 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.61 HD11 ' CG1' ' A' ' 55' ' ' VAL . 0.3 OUTLIER -105.48 150.88 24.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 0.747 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 t -131.28 110.32 11.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -109.48 -176.48 3.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.24 -179.96 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.57 20.25 3.5 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -177.15 52.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -179.12 -33.85 0.06 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.093 . . . . 0.0 110.97 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.446 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.4 p30 -41.03 163.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 130.62 -165.63 22.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.506 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.4 Cg_endo -74.94 107.74 2.55 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.797 . . . . 0.0 111.044 179.92 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.6 OUTLIER 179.38 36.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.34 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -79.86 172.46 54.85 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 108' ' ' VAL . 1.4 p -97.17 110.58 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.381 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -59.0 116.84 4.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.819 HD11 ' HB ' ' A' ' 7' ' ' VAL . 32.5 mt -118.51 151.27 20.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.373 179.921 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.784 ' O ' HD23 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -84.08 93.33 8.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.943 -179.92 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.921 ' CE2' HG12 ' A' ' 69' ' ' VAL . 71.3 m-85 -85.75 14.99 5.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.506 ' C ' HD22 ' A' ' 13' ' ' LEU . 10.9 t30 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 1.007 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . -87.09 -60.23 0.26 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 1.007 ' HD3' ' HB3' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -75.01 -148.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.812 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.502 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 3.1 m -99.51 -6.07 28.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.81 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -71.62 127.35 32.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.475 HG23 ' C ' ' A' ' 5' ' ' ALA . 66.9 p -154.43 153.4 31.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.387 179.902 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.042 HG13 ' CG2' ' A' ' 21' ' ' VAL . 3.0 t -112.49 135.05 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 7' ' ' VAL . 0.8 OUTLIER -32.59 -53.23 0.6 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 -179.961 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.984 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -75.05 -149.81 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.542 1.812 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.4 ' H ' ' HB2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER 175.61 -23.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.559 ' O ' HD23 ' A' ' 13' ' ' LEU . 88.5 p -172.05 165.81 6.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.935 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.94 35.94 92.11 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.618 HD21 ' HB2' ' A' ' 9' ' ' PRO . 3.9 mt -92.88 -148.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -156.18 152.03 27.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.542 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 31.3 t0 -53.77 108.47 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' VAL . . . 89.03 36.01 7.9 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -71.54 82.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 110.404 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.482 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 3.5 t -65.15 90.81 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.658 HG21 ' CG ' ' A' ' 9' ' ' PRO . 1.4 m -112.43 -171.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 65' ' ' THR . 16.7 mttt -100.71 117.38 34.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.042 ' CG2' HG13 ' A' ' 7' ' ' VAL . 4.1 t -103.57 145.64 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.368 179.913 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.82 159.69 41.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.781 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 84.03 -166.22 42.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.81 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . . . 142.6 -129.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.19 3.03 67.74 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.559 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.6 OUTLIER 41.55 67.36 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 0.788 . . . . 0.0 109.323 -179.977 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.66 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 9.1 mm-40 -87.0 -100.19 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 165.36 83.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.51 28.34 73.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 57.8 m -103.64 154.7 19.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.396 0.704 . . . . 0.0 110.395 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 99' ' ' ASP . . . -63.21 159.38 17.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.836 ' O ' HG12 ' A' ' 55' ' ' VAL . 13.0 m-85 -156.64 75.76 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 111.07 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -53.37 142.2 22.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.952 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.734 HG21 ' HB3' ' A' ' 53' ' ' SER . 4.0 t -67.35 148.62 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -116.97 -89.2 1.42 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.556 1.16 . . . . 0.0 111.065 179.891 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.957 ' NE2' HG22 ' A' ' 95' ' ' VAL . 1.5 tp60 70.45 104.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.528 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 20.7 m -130.94 177.14 7.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 108.269 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.586 ' HB2' ' HB2' ' A' ' 93' ' ' CYS . . . -144.69 123.14 12.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.163 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.619 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -73.6 129.45 37.98 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.751 HG11 ' CE2' ' A' ' 83' ' ' TRP . 81.8 t -112.57 -104.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.511 ' N ' HG12 ' A' ' 40' ' ' VAL . 1.8 t0 -59.35 -165.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -70.95 -48.96 50.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 -179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.14 32.2 5.71 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.647 ' CG1' HD13 ' A' ' 77' ' ' LEU . 23.9 t -127.28 133.23 68.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.595 ' HB3' ' CZ ' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -138.51 106.84 5.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.839 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -73.3 101.54 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.621 ' C ' ' HD3' ' A' ' 49' ' ' PRO . 0.5 OUTLIER -80.54 163.47 23.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 0.0 108.266 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.661 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 31.5 t-20 -115.63 70.87 3.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.621 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.2 Cg_endo -74.98 8.45 2.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.552 1.817 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.667 ' HA ' ' CE1' ' A' ' 52' ' ' PHE . . . -99.81 -5.22 28.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.53 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 3.0 p-10 -54.24 -51.61 63.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.667 ' CE1' ' HA ' ' A' ' 50' ' ' ALA . 12.2 m-85 69.14 -8.49 0.69 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.734 ' HB3' HG21 ' A' ' 34' ' ' VAL . 3.8 m -65.17 158.43 26.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.463 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 78.7 p -149.74 153.26 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.961 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.03 HG11 HD22 ' A' ' 97' ' ' LEU . 13.0 p -145.46 170.78 5.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.512 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -131.81 149.93 52.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.465 179.95 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.623 ' HB2' ' HE2' ' A' ' 32' ' ' TYR . . . -66.51 176.28 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.695 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.9 p-10 -135.44 134.88 40.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.695 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.4 79.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.675 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.9 t30 150.95 -34.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.613 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 115.88 -3.3 21.14 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.444 1.09 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -82.81 127.51 33.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.035 179.991 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -62.79 165.34 6.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' HB ' ' A' ' 65' ' ' THR . 85.8 p -169.94 107.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.706 ' HB ' HG23 ' A' ' 55' ' ' VAL . 0.7 OUTLIER 178.98 -165.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.438 -179.933 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.696 ' N ' HG23 ' A' ' 65' ' ' THR . 93.2 p -101.77 134.91 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.065 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.729 HD11 HD23 ' A' ' 97' ' ' LEU . 2.4 mp -125.0 137.33 54.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.604 ' O ' ' NE ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -80.35 89.36 5.55 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.476 1.11 . . . . 0.0 110.487 179.92 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.603 HG13 ' HE2' ' A' ' 112' ' ' PHE . 89.5 t -62.74 69.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.604 ' NE ' ' O ' ' A' ' 68' ' ' THR . 0.0 OUTLIER -73.41 122.14 21.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.563 ' HA ' ' HB2' ' A' ' 88' ' ' CYS . 0.4 OUTLIER -84.93 -79.31 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.973 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -76.8 100.63 5.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.661 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 3.0 p90 -144.04 147.77 34.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 74' ' ' GLU . 1.8 pt-20 -75.4 104.9 6.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.716 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -89.48 161.21 29.74 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.502 ' O ' ' C ' ' A' ' 77' ' ' LEU . 5.8 m-85 -106.72 129.2 54.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 0.759 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.647 HD13 ' CG1' ' A' ' 44' ' ' VAL . 1.6 mm? -33.06 -68.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.595 ' CZ ' ' HB3' ' A' ' 45' ' ' LEU . 0.3 OUTLIER 159.17 -24.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 110.938 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.24 -69.03 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -167.19 28.99 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.1 m -117.78 147.63 42.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 110.395 179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' TRP . 17.2 ttp180 -109.7 105.92 15.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.839 ' HD1' ' HB2' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -40.79 -84.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 108.025 179.984 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.538 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 137.06 114.17 1.29 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.775 ' O ' HG23 ' A' ' 85' ' ' THR . 12.4 t 27.07 77.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.566 0.804 . . . . 0.0 110.363 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -91.71 119.18 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.441 ' HB3' ' CB ' ' A' ' 90' ' ' THR . 8.8 m-20 -71.56 105.19 3.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.622 ' HB3' ' CE1' ' A' ' 112' ' ' PHE . 2.4 m -53.19 -57.69 9.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.31 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.523 HG21 ' CZ ' ' A' ' 71' ' ' ARG . 8.9 t -50.45 -28.48 8.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.441 ' CB ' ' HB3' ' A' ' 87' ' ' ASP . 52.5 m -79.78 -23.48 42.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.414 -179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.619 ' HB1' ' O ' ' A' ' 39' ' ' TRP . . . -126.26 29.21 5.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.566 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 26.27 52.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.612 ' SG ' ' CZ ' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -51.33 -179.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 108.282 -179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.525 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 6.2 pm0 -135.93 152.53 51.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.927 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.957 HG22 ' NE2' ' A' ' 36' ' ' GLN . 2.3 t -126.09 113.28 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.55 155.19 26.38 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.03 HD22 HG11 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -106.71 139.06 41.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 0.793 . . . . 0.0 109.343 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 33' ' ' ASP . 1.0 OUTLIER -141.53 158.9 43.25 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.576 1.172 . . . . 0.0 110.004 -179.905 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -90.76 176.33 6.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.598 ' O ' ' HB2' ' A' ' 101' ' ' ALA . . . -96.81 45.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.355 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . 169.98 -28.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.6 -56.31 5.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.461 1.101 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -158.05 -162.62 1.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 0.785 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.466 ' O ' ' OG ' ' A' ' 98' ' ' SER . . . -156.17 -91.91 0.09 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.448 1.093 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.536 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -74.88 -161.14 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.536 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.6 tp10 89.14 26.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 106' ' ' GLU . . . -57.9 -153.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.119 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.697 ' CG1' HG23 ' A' ' 7' ' ' VAL . 2.2 p -132.47 125.5 53.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.59 0.818 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.04 105.6 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.846 HD11 HG21 ' A' ' 7' ' ' VAL . 10.1 mt -99.17 136.81 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.22 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.484 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.1 OUTLIER -92.82 83.85 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.173 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.695 ' CD2' HG22 ' A' ' 110' ' ' ILE . 0.9 OUTLIER -76.08 121.02 22.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 -179.97 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 -179.979 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.59 90.29 25.56 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.853 ' O ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -74.96 75.27 3.73 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.439 1.757 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 3' ' ' PRO . 1.1 p -164.52 148.17 9.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -179.93 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.508 ' O ' HG21 ' A' ' 108' ' ' VAL . . . -102.52 167.12 10.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.985 ' O ' HG13 ' A' ' 21' ' ' VAL . 6.4 p -152.59 157.3 40.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.344 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.039 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.6 t -95.06 122.23 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.581 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -29.01 -60.76 0.23 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.423 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.039 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -74.93 -84.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 111.03 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.708 ' HA ' HG23 ' A' ' 110' ' ' ILE . 3.0 t 85.69 29.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.633 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 23.4 p 172.67 151.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.39 44.08 97.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.881 ' CB ' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -111.32 -152.33 0.5 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 0.773 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.6 t -152.98 163.06 40.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.064 179.928 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.525 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 2.6 p-10 -58.6 112.33 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.42 34.42 14.15 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.141 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.881 HG21 ' CB ' ' A' ' 13' ' ' LEU . 3.4 t -83.88 93.29 7.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 0.735 . . . . 0.0 110.404 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.695 HG22 ' HB ' ' A' ' 68' ' ' THR . 3.4 t -78.6 91.51 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.691 HG21 ' CG ' ' A' ' 9' ' ' PRO . 5.7 m -108.45 170.95 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -65.93 140.91 58.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.985 HG13 ' O ' ' A' ' 6' ' ' THR . 92.5 t -141.8 141.6 29.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -140.6 158.62 43.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.892 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 105.59 174.03 23.94 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.753 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 153.21 -162.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 0.801 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.483 ' HA2' ' CB ' ' A' ' 3' ' ' PRO . . . -60.53 -4.33 3.85 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.576 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.7 OUTLIER 50.59 62.11 2.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 0.742 . . . . 0.0 109.258 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.638 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -90.14 -88.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 166.69 87.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.546 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 62.37 10.76 30.57 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 55.2 m -73.83 164.07 27.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 0.786 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.34 146.53 34.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.802 ' CD1' HD23 ' A' ' 97' ' ' LEU . 2.7 m-85 -145.11 77.96 1.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.67 129.33 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.588 HG22 HD21 ' A' ' 67' ' ' LEU . 28.3 t -69.66 138.74 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' HA2' ' OD1' ' A' ' 51' ' ' ASP . . . -112.31 -176.59 19.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.469 1.105 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.537 ' CB ' ' NH1' ' A' ' 70' ' ' ARG . 2.0 tp60 176.49 103.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.676 ' HB3' HD21 ' A' ' 45' ' ' LEU . 34.6 m -132.47 -179.1 5.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 108.276 -179.94 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.463 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -141.73 85.04 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.608 ' HB2' HD12 ' A' ' 45' ' ' LEU . 68.2 t90 -73.27 121.48 20.43 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.926 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.685 HG21 ' HB1' ' A' ' 91' ' ' ALA . 35.5 t -117.56 -117.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.537 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -57.91 175.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 50.5 m -66.1 90.27 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.41 -9.46 41.86 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.011 HG13 HD21 ' A' ' 77' ' ' LEU . 21.9 t -90.46 66.12 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.696 ' C ' HD23 ' A' ' 45' ' ' LEU . 4.4 tt -108.28 122.48 47.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.937 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -100.26 100.68 11.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.676 ' CB ' ' CZ ' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -80.7 152.34 28.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 108.293 179.981 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.535 ' ND2' ' CD1' ' A' ' 73' ' ' PHE . 6.5 t-20 -113.48 89.83 16.1 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.382 179.906 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.569 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 18.1 Cg_endo -75.1 44.03 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.52 1.8 . . . . 0.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.42 3.04 2.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 53' ' ' SER . 4.0 p30 -45.65 -62.38 1.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.11 -47.6 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 110.985 179.94 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.554 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.1 m -38.61 155.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.934 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.3 p -146.32 140.36 26.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.655 ' CG2' ' HB1' ' A' ' 63' ' ' ALA . 2.7 p -127.3 153.23 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 63' ' ' ALA . 2.5 m -112.02 151.9 28.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.388 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HB3' ' N ' ' A' ' 29' ' ' GLY . . . -80.21 173.66 12.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.634 ' O ' ' N ' ' A' ' 60' ' ' ASN . 9.4 p30 -132.78 120.72 21.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.23 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.534 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.75 -89.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.634 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.6 m-20 -36.7 -46.94 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.576 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 130.11 -2.48 5.89 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.5 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 28.9 t -76.07 137.73 40.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.581 0.812 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.892 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -74.45 157.95 34.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.29 -179.932 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 93.3 p -160.15 105.03 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.995 -179.928 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.429 HG23 HD12 ' A' ' 67' ' ' LEU . 1.6 t -176.62 173.69 1.97 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.563 ' HB3' HG12 ' A' ' 18' ' ' VAL . 19.9 m -88.52 122.54 32.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.009 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.802 ' HB2' HG21 ' A' ' 21' ' ' VAL . 11.0 mp -112.34 142.95 44.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.235 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.869 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.4 t -88.96 106.11 18.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.451 1.094 . . . . 0.0 110.426 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.132 HG12 ' CE2' ' A' ' 112' ' ' PHE . 1.3 t -76.63 60.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.869 ' NE ' HG23 ' A' ' 68' ' ' THR . 2.3 mtm180 -42.55 132.51 3.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.539 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 7.1 tmm_? -100.09 -75.86 0.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.443 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -83.32 122.86 29.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.003 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 88' ' ' CYS . 8.6 p90 -169.76 -168.92 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 85' ' ' THR . 2.7 pm0 -108.7 123.83 49.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 84' ' ' GLY . . . -125.54 149.96 17.29 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.676 ' CZ ' ' CB ' ' A' ' 47' ' ' CYS . 35.9 p90 -107.31 131.83 53.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 111.04 179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.011 HD21 HG13 ' A' ' 44' ' ' VAL . 1.2 mt -52.05 -41.16 62.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.733 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.8 OUTLIER 93.37 14.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -142.76 -42.74 0.31 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -110.85 -67.64 0.55 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.445 1.091 . . . . 0.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.746 HG23 ' N ' ' A' ' 82' ' ' ARG . 0.5 OUTLIER 178.27 -172.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 110.423 -179.975 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.746 ' N ' HG23 ' A' ' 81' ' ' THR . 0.0 OUTLIER -38.38 159.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.188 -179.905 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.937 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -168.66 -41.52 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 108.003 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -92.81 64.37 2.1 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.537 1.148 . . . . 0.0 110.957 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.829 ' O ' HG23 ' A' ' 85' ' ' THR . 1.3 t -103.3 51.09 0.8 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 0.787 . . . . 0.0 110.367 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.804 HG13 ' N ' ' A' ' 87' ' ' ASP . 0.5 OUTLIER -178.24 -156.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 109.248 179.938 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.804 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -54.42 101.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 20.9 p -57.09 -27.89 62.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 108.389 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.0 t -51.35 -21.45 2.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.374 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.8 OUTLIER -83.11 -17.37 43.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 179.958 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.685 ' HB1' HG21 ' A' ' 40' ' ' VAL . . . -121.69 28.67 7.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.25 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.507 ' O ' ' O ' ' A' ' 91' ' ' ALA . . . 44.49 100.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.67 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -93.2 162.8 13.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 -179.981 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 107' ' ' GLY . 8.4 pt20 -152.61 150.17 29.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.518 ' H ' HD12 ' A' ' 110' ' ' ILE . 66.1 t -128.1 111.28 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -127.91 172.03 19.1 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.923 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -79.81 137.34 36.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 109.35 -179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.638 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -129.04 128.8 44.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.906 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -95.43 173.38 7.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.222 -179.96 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.65 33.83 0.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -157.85 -41.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -82.68 -60.67 2.05 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.489 ' O ' ' O ' ' A' ' 102' ' ' GLY . 18.0 t30 34.59 -154.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.724 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 76.05 -146.91 34.11 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.77 17.02 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.591 1.837 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.429 ' HG2' ' N ' ' A' ' 97' ' ' LEU . 17.1 tp10 -117.89 -71.65 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.479 ' O ' ' HB ' ' A' ' 108' ' ' VAL . . . 138.74 -148.45 19.97 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 5' ' ' ALA . 17.6 t 77.7 70.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.34 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.48 107.87 1.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 1.061 HG21 HG11 ' A' ' 69' ' ' VAL . 3.8 mt -108.04 148.84 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.802 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -97.48 102.19 13.89 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.132 ' CE2' HG12 ' A' ' 69' ' ' VAL . 3.4 m-85 -91.79 130.87 37.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.589 1.18 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 2.9 t30 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.973 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.685 ' O ' ' HB2' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . . . 162.99 -51.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.773 ' C ' HG22 ' A' ' 4' ' ' THR . 18.2 Cg_endo -75.0 6.49 3.36 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.773 HG22 ' C ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 160.48 178.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.936 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.834 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . -105.37 173.25 6.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.936 ' HA ' HG21 ' A' ' 108' ' ' VAL . 19.9 p -153.0 156.4 38.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.439 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.976 HG12 ' HD2' ' A' ' 9' ' ' PRO . 2.6 t -93.25 135.04 29.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.53 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.54 -58.35 1.03 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.357 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.976 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.3 Cg_endo -75.0 -168.46 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.79 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.455 ' C ' HG23 ' A' ' 110' ' ' ILE . 0.2 OUTLIER -154.11 19.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.05 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.559 ' O ' HD12 ' A' ' 13' ' ' LEU . 51.9 p -177.57 64.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 110.041 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.995 ' HA3' HG21 ' A' ' 17' ' ' THR . . . -49.8 -28.49 11.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 111.038 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.626 HD23 ' C ' ' A' ' 113' ' ' ASN . 0.6 OUTLIER 46.63 20.23 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.561 0.8 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.488 ' N ' ' C ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -139.92 114.64 9.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.51 1.131 . . . . 0.0 110.015 -179.986 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.497 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 10.0 p-10 -60.55 95.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.549 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 108.49 31.22 3.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.436 1.085 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.995 HG21 ' HA3' ' A' ' 12' ' ' GLY . 0.5 OUTLIER -74.86 98.11 3.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 0.743 . . . . 0.0 110.457 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.46 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 7.4 t -83.25 113.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.945 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.816 HG21 ' CG ' ' A' ' 9' ' ' PRO . 3.7 m -136.36 174.24 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 153.16 44.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.864 HG13 ' O ' ' A' ' 6' ' ' THR . 22.8 t -150.08 146.53 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -145.21 158.31 43.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.855 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 96.98 -176.3 31.79 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 150.24 -156.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.52 -0.64 8.53 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.737 HD11 ' OD1' ' A' ' 60' ' ' ASN . 2.7 tp 46.36 72.48 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.698 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 10.4 tp60 -82.02 -98.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.26 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 162.25 51.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.79 72.74 1.21 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.467 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 3.7 t -156.43 163.42 39.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 0.76 . . . . 0.0 110.349 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.26 153.94 39.61 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.737 ' HE2' ' HB2' ' A' ' 57' ' ' ALA . 5.1 m-85 -148.73 78.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 1.0 OUTLIER -58.1 119.81 7.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.08 . . . . 0.0 109.319 179.959 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.672 HG21 HD22 ' A' ' 67' ' ' LEU . 34.6 t -56.59 160.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.429 ' N ' ' CG1' ' A' ' 34' ' ' VAL . . . -148.88 156.38 26.81 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.932 ' CG ' HG13 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -149.06 120.66 8.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 0.77 . . . . 0.0 110.311 -179.989 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.489 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 9.5 m -130.0 172.9 11.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 108.273 179.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.586 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -140.09 154.85 47.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.636 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -79.52 137.61 37.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 108.051 179.933 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.685 ' HB ' HG12 ' A' ' 44' ' ' VAL . 85.4 t -109.49 -105.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.526 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -166.01 129.1 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 1.037 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.1 m 66.56 91.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 42' ' ' THR . . . 30.92 43.54 0.08 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.037 HG23 ' O ' ' A' ' 42' ' ' THR . 55.6 t -127.17 133.15 68.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 0.749 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 39' ' ' TRP . 3.9 tp -134.27 126.86 30.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.656 ' HB2' ' HD1' ' A' ' 83' ' ' TRP . . . -86.27 93.29 9.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.489 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.0 OUTLIER -79.79 147.86 31.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 108.31 -179.967 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.725 ' CG ' ' CD2' ' A' ' 73' ' ' PHE . 20.9 t-20 -113.39 95.14 34.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HD3' ' CD2' ' A' ' 76' ' ' PHE . 18.4 Cg_endo -75.04 34.84 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.445 1.761 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.684 ' HB3' ' OD1' ' A' ' 48' ' ' ASN . . . -124.54 0.08 8.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.7 OUTLIER -39.59 -42.26 1.15 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 179.96 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 21.4 m-85 62.78 -59.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 111.057 -179.923 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.3 m -31.7 146.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.52 1.138 . . . . 0.0 109.982 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 66.2 p -158.33 139.02 12.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.817 HG21 ' HB ' ' A' ' 65' ' ' THR . 1.3 p -139.68 -157.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.226 -179.993 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.706 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -147.49 160.84 42.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.945 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.737 ' HB2' ' HE2' ' A' ' 32' ' ' TYR . . . -69.45 -179.64 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.708 ' O ' ' N ' ' A' ' 60' ' ' ASN . 53.1 p30 -137.24 132.89 34.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.189 . . . . 0.0 109.237 -179.901 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.696 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -8.76 77.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 179.938 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.737 ' OD1' HD11 ' A' ' 26' ' ' LEU . 10.0 t30 151.99 -35.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.356 -179.955 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.643 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 118.07 -8.06 14.48 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.153 . . . . 0.0 110.99 179.942 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.501 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.2 OUTLIER -77.2 137.59 38.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 0.732 . . . . 0.0 110.045 179.92 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.855 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -83.13 159.2 22.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.485 ' O ' ' HB ' ' A' ' 65' ' ' THR . 90.5 p -160.2 107.97 1.65 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.949 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.817 ' HB ' HG21 ' A' ' 55' ' ' VAL . 6.9 t -179.8 167.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.374 179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.498 ' C ' HD23 ' A' ' 67' ' ' LEU . 66.8 p -90.81 116.14 28.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.058 179.922 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.769 HD21 HG23 ' A' ' 65' ' ' THR . 5.9 mt -101.1 159.82 14.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.852 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.9 t -101.11 92.34 4.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.435 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.039 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.0 t -68.96 67.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.852 ' NE ' HG23 ' A' ' 68' ' ' THR . 1.0 OUTLIER -65.52 141.72 58.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.935 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.762 ' HD3' HG22 ' A' ' 89' ' ' THR . 9.3 tmm_? -92.26 -68.13 0.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.401 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 22.8 t -63.69 103.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.96 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.725 ' CD2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -139.02 161.46 37.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 110.959 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.503 ' CB ' ' HA2' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -104.96 76.17 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.609 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -74.57 147.56 37.3 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 22.5 p90 -116.07 130.01 56.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 0.762 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.846 HD23 HG11 ' A' ' 44' ' ' VAL . 4.3 mp -40.08 -66.53 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.616 1.198 . . . . 0.0 109.242 -179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 77' ' ' LEU . 0.3 OUTLIER 159.58 -28.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.956 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.8 t0 174.6 54.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -161.87 -45.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.436 1.085 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.5 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -162.87 168.5 21.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.399 -179.952 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.5 ' N ' ' CG2' ' A' ' 81' ' ' THR . 16.7 ttm105 -130.74 119.45 22.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.679 ' CE3' HG21 ' A' ' 86' ' ' VAL . 37.4 m95 -48.33 -87.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.524 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 99.87 132.48 7.74 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.73 ' O ' HG23 ' A' ' 85' ' ' THR . 3.1 t 28.74 44.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 0.755 . . . . 0.0 110.42 -179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.679 HG21 ' CE3' ' A' ' 83' ' ' TRP . 8.9 p -89.78 140.41 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.459 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.0 OUTLIER -73.47 101.87 3.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 109.323 -179.983 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.765 ' SG ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -52.49 -24.94 8.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 108.291 -179.969 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.762 HG22 ' HD3' ' A' ' 71' ' ' ARG . 1.8 t -69.89 -20.4 63.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 1.183 . . . . 0.0 110.391 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -84.9 -27.03 26.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.425 179.987 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -119.94 18.63 12.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 34.64 61.95 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 1.9 p -52.08 -176.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.528 ' HB2' ' N ' ' A' ' 108' ' ' VAL . 4.0 pm0 -143.95 159.72 42.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.243 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.952 HG21 HG13 ' A' ' 69' ' ' VAL . 2.5 t -130.0 119.2 46.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -136.62 175.22 21.15 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 179.917 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.691 HD23 ' CB ' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -86.55 156.24 20.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 0.732 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.48 ' OG ' ' CB ' ' A' ' 103' ' ' ASN . 0.4 OUTLIER -138.92 123.01 17.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 179.992 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -115.27 -179.06 3.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 109.254 180.0 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.32 18.86 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.73 51.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -177.75 -34.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.477 1.111 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.48 ' CB ' ' OG ' ' A' ' 98' ' ' SER . 2.8 p30 -42.01 166.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 131.96 -158.87 23.07 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.505 ' O ' ' CG ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.06 111.28 3.29 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 110.924 -179.942 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.505 ' CG ' ' O ' ' A' ' 105' ' ' PRO . 0.5 OUTLIER 173.31 40.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 179.973 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.411 ' C ' ' HB2' ' A' ' 94' ' ' GLN . . . -86.3 172.33 45.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.496 1.122 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.936 HG21 ' HA ' ' A' ' 6' ' ' THR . 21.8 t -97.34 110.5 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 0.725 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.77 107.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.524 HG13 HG12 ' A' ' 108' ' ' VAL . 7.1 mt -113.88 155.08 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.517 ' O ' ' HA ' ' A' ' 11' ' ' SER . 1.8 m -92.54 100.9 13.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.039 ' CE2' HG12 ' A' ' 69' ' ' VAL . 4.8 m-85 -88.27 18.26 4.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.626 ' C ' HD23 ' A' ' 13' ' ' LEU . 54.2 t30 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.433 ' O ' ' O ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.763 ' HB1' ' HA2' ' A' ' 25' ' ' GLY . . . 57.65 157.65 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 109.344 -179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 1.052 ' O ' HG23 ' A' ' 4' ' ' THR . 18.4 Cg_endo -75.0 -99.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.401 1.737 . . . . 0.0 111.086 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 1.052 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 168.65 167.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.449 1.093 . . . . 0.0 110.428 179.91 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -91.63 174.06 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.913 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.954 ' O ' HG13 ' A' ' 21' ' ' VAL . 69.9 p -149.37 152.13 35.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 110.358 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 21' ' ' VAL . 4.8 t -111.58 110.01 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.678 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -24.02 -65.84 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.989 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.893 ' HB2' HD21 ' A' ' 13' ' ' LEU . 18.1 Cg_endo -75.0 -89.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.549 1.815 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.599 ' HA ' HG23 ' A' ' 110' ' ' ILE . 4.4 t 85.86 21.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.494 1.121 . . . . 0.0 110.085 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.482 ' HA ' ' CB ' ' A' ' 111' ' ' SER . 51.4 p -173.2 147.36 1.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.172 . . . . 0.0 110.011 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.03 35.38 87.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.438 1.086 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.893 HD21 ' HB2' ' A' ' 9' ' ' PRO . 29.2 mt -92.59 -142.85 0.21 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 0.794 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.48 ' N ' ' OG1' ' A' ' 17' ' ' THR . 0.3 OUTLIER -159.54 170.47 21.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.014 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.508 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 12.3 t70 -60.68 107.42 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.47 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 78.27 37.35 28.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.928 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.929 HG22 HG13 ' A' ' 19' ' ' VAL . 8.2 m -76.88 90.52 3.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.57 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 2.4 t -66.71 84.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.407 1.067 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.929 HG13 HG22 ' A' ' 17' ' ' THR . 1.3 m -94.4 166.33 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 -179.948 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 65' ' ' THR . 7.6 mtpt -67.6 141.11 56.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.954 HG13 ' O ' ' A' ' 6' ' ' THR . 98.2 t -139.6 139.83 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -137.9 157.15 47.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.83 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 90.0 -166.66 32.58 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.564 1.165 . . . . 0.0 111.089 -179.932 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.759 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 141.97 -142.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 0.726 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.763 ' HA2' ' HB1' ' A' ' 2' ' ' ALA . . . -70.49 0.31 26.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.548 HD11 ' OD1' ' A' ' 60' ' ' ASN . 0.7 OUTLIER 42.82 65.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.697 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 18.7 tp60 -75.4 -99.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 162.11 54.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.99 71.95 1.27 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 110.974 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -157.93 163.02 38.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 110.364 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.26 152.71 36.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.892 ' HB3' HD23 ' A' ' 97' ' ' LEU . 2.1 m-85 -148.37 78.93 1.44 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.545 1.153 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 98' ' ' SER . 0.2 OUTLIER -55.12 128.74 35.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.957 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.843 ' CG1' HD22 ' A' ' 67' ' ' LEU . 21.2 t -70.46 149.31 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -129.69 146.75 17.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.466 1.103 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 2.9 tp60 -134.6 112.6 10.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.77 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.572 ' C ' ' CE1' ' A' ' 73' ' ' PHE . 28.3 m -129.56 -175.36 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 108.315 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.963 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . . . -153.03 124.49 7.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.84 ' HB2' HD12 ' A' ' 45' ' ' LEU . 10.7 t90 -101.42 108.91 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 107.958 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.601 HG22 ' CB ' ' A' ' 91' ' ' ALA . 46.3 t -88.93 -115.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.574 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.8 OUTLIER -56.31 -160.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.256 -179.959 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.1 m -68.27 -51.18 47.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.34 39.95 2.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.6 HG13 HD21 ' A' ' 77' ' ' LEU . 46.9 t -126.79 52.28 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.454 0.737 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.84 HD12 ' HB2' ' A' ' 39' ' ' TRP . 1.3 tt -101.25 113.16 25.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.464 ' HB1' ' C ' ' A' ' 76' ' ' PHE . . . -102.5 157.32 17.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.482 ' O ' ' CA ' ' A' ' 75' ' ' GLY . 0.8 OUTLIER -118.12 152.06 36.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 108.259 -179.975 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.547 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 15.0 t-20 -109.8 97.12 27.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.423 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.4 Cg_endo -74.94 39.85 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.461 1.769 . . . . 0.0 111.064 179.943 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.575 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -133.71 5.0 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.352 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.57 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.5 OUTLIER -40.35 -45.9 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 23.0 m-85 62.77 -59.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 111.055 -179.938 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.57 ' N ' ' O ' ' A' ' 51' ' ' ASP . 1.7 m -32.98 148.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.416 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 54.8 p -159.09 142.86 15.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.992 -179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.918 HG21 ' CG2' ' A' ' 65' ' ' THR . 1.2 p -142.18 -158.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.702 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.5 m -144.66 166.81 24.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.609 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -80.07 -177.77 6.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.356 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.689 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.8 p30 -137.51 135.63 36.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.689 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -11.76 80.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.689 ' N ' ' O ' ' A' ' 58' ' ' ASP . 8.3 t30 149.55 -34.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.226 179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.523 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 115.67 -6.37 20.44 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -78.25 131.0 36.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 0.743 . . . . 0.0 109.921 -179.902 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.83 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -76.6 163.23 27.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.25 -179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.527 ' O ' ' HB ' ' A' ' 65' ' ' THR . 18.0 p -164.44 114.72 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.918 ' CG2' HG21 ' A' ' 55' ' ' VAL . 5.0 t 178.03 -132.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.533 ' N ' ' OG1' ' A' ' 65' ' ' THR . 2.6 m -146.22 136.84 24.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.843 HD22 ' CG1' ' A' ' 34' ' ' VAL . 22.3 mt -114.59 134.56 54.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.891 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 1.2 t -74.46 98.27 3.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.828 HG12 ' CE2' ' A' ' 112' ' ' PHE . 72.5 t -69.22 68.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.239 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.891 ' CZ ' HG23 ' A' ' 68' ' ' THR . 1.3 mtm180 -61.42 119.88 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 73' ' ' PHE . 15.8 ttp180 -73.35 -64.21 1.03 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 92.7 p -57.91 79.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.033 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.963 ' CE2' ' HB3' ' A' ' 38' ' ' ALA . 10.3 t80 -52.6 160.11 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.591 1.182 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 73' ' ' PHE . 53.4 mt-10 -160.02 65.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 47' ' ' CYS . . . -126.76 178.62 16.73 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.592 ' CE2' ' HA ' ' A' ' 78' ' ' PHE . 14.5 p90 -126.03 150.69 47.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.609 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 10.2 mt -36.73 -60.29 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.609 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER 155.02 -18.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.98 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -177.14 -33.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.91 -48.15 83.12 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.556 ' CG2' ' N ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -177.69 172.22 1.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 0.74 . . . . 0.0 110.397 -179.986 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.556 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.0 OUTLIER -111.18 144.36 40.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.549 ' HZ2' HG13 ' A' ' 44' ' ' VAL . 34.9 m95 -92.75 -63.63 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 -179.945 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.6 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 74.47 158.31 5.96 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.763 HG22 ' O ' ' A' ' 85' ' ' THR . 0.9 OUTLIER 19.52 79.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 0.801 . . . . 0.0 110.394 -179.971 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.589 ' O ' HG12 ' A' ' 86' ' ' VAL . 1.5 t -116.19 99.42 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.47 ' O ' ' O ' ' A' ' 88' ' ' CYS . 5.1 m-20 -47.56 109.38 0.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.779 ' C ' HG23 ' A' ' 89' ' ' THR . 0.8 OUTLIER -53.87 -168.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 108.35 179.969 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.91 HG22 ' HB2' ' A' ' 112' ' ' PHE . 0.7 OUTLIER 67.65 -4.33 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.388 179.959 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -108.93 -30.86 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.359 179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.601 ' CB ' HG22 ' A' ' 40' ' ' VAL . . . -123.11 4.4 9.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 93' ' ' CYS . . . 49.76 60.59 3.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 3.8 m -43.93 164.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 108.325 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.453 ' HB2' ' C ' ' A' ' 107' ' ' GLY . 0.7 OUTLIER -126.53 150.84 48.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.17 . . . . 0.0 110.32 179.997 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 67' ' ' LEU . 90.9 t -135.79 98.0 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.592 1.183 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -118.43 -169.02 14.45 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.434 1.084 . . . . 0.0 110.963 -179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.892 HD23 ' HB3' ' A' ' 32' ' ' TYR . 2.7 mp -115.11 156.49 25.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -165.87 155.0 11.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.052 179.955 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.422 ' CG ' ' HA3' ' A' ' 102' ' ' GLY . 0.0 OUTLIER -97.94 169.65 9.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.243 -179.915 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.72 40.78 1.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.45 -32.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.593 1.183 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.422 ' HA3' ' CG ' ' A' ' 99' ' ' ASP . . . -71.19 -57.04 6.43 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.494 1.122 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -156.12 -165.52 1.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -127.14 -76.07 0.22 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.562 1.163 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -167.71 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.454 1.766 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.631 ' CD ' HG22 ' A' ' 4' ' ' THR . 1.2 tp10 -165.66 -77.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.175 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.644 ' C ' HG23 ' A' ' 108' ' ' VAL . . . 146.21 -143.4 11.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.644 HG23 ' C ' ' A' ' 107' ' ' GLY . 2.9 t 80.62 77.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.32 107.85 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.38 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.737 HG21 HD12 ' A' ' 13' ' ' LEU . 2.4 mp -99.03 153.78 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.482 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -108.05 118.68 37.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.007 -179.98 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.91 ' HB2' HG22 ' A' ' 89' ' ' THR . 14.1 m-85 -90.73 122.57 33.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.6 t30 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.947 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.666 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . -152.76 50.89 0.66 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.257 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.666 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.1 Cg_endo -75.04 -5.58 16.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.46 1.768 . . . . 0.0 110.964 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.523 ' HB ' ' O ' ' A' ' 24' ' ' ALA . 54.6 m -101.13 -7.82 22.82 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.56 1.162 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.801 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -69.94 117.49 11.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -146.61 156.61 43.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.444 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.9 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.1 t -115.61 149.35 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.497 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -39.56 -56.79 2.74 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 179.965 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.9 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -74.95 -156.66 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.561 1.821 . . . . 0.0 110.969 -179.942 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.517 ' C ' HG23 ' A' ' 110' ' ' ILE . 39.5 t -161.94 -23.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.545 ' CB ' ' HB2' ' A' ' 111' ' ' SER . 1.4 p -169.66 168.11 9.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 109.992 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 64.35 31.43 80.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.995 HD11 HG21 ' A' ' 110' ' ' ILE . 5.7 mt -66.27 -142.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 0.74 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.2 t -166.23 158.16 13.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.957 -179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.427 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 37.5 t0 -53.04 90.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.69 ' O ' HG23 ' A' ' 18' ' ' VAL . . . 94.87 44.05 3.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.731 HG22 ' O ' ' A' ' 17' ' ' THR . 0.9 OUTLIER -64.25 77.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.4 -179.954 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 16' ' ' GLY . 12.2 t -71.73 91.56 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.495 HG21 ' CD ' ' A' ' 9' ' ' PRO . 3.7 m -118.82 -175.29 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 65' ' ' THR . 12.8 tttt -87.18 124.28 33.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.633 HG22 HG13 ' A' ' 7' ' ' VAL . 11.4 t -108.03 149.22 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.35 158.16 44.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.766 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 75.75 -158.39 49.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.801 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . . . 140.73 -128.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 26' ' ' LEU . . . -77.97 4.16 58.7 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.499 ' N ' ' OH ' ' A' ' 32' ' ' TYR . 3.0 tp 39.89 68.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 0.72 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.517 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 35.9 mt-30 -83.79 -110.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 174.4 67.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.17 44.66 11.2 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.13 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 41.6 m -122.78 162.41 22.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 0.753 . . . . 0.0 110.374 -179.927 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.98 156.18 28.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.607 ' CD2' ' HB2' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -142.63 73.68 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.973 -179.969 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.4 OUTLIER -59.98 114.32 2.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.672 HG22 HD23 ' A' ' 97' ' ' LEU . 94.3 t -48.81 155.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.55 ' O ' ' HB3' ' A' ' 36' ' ' GLN . . . -135.03 -85.74 0.22 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.381 1.05 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.55 ' HB3' ' O ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER 72.66 108.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 110.297 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.559 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 27.0 m -123.54 -178.42 4.01 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 108.325 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -138.38 100.07 4.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.843 ' CB ' HD12 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -79.34 129.58 34.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 107.982 179.994 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.722 HG21 ' CZ2' ' A' ' 83' ' ' TRP . 4.9 t -116.02 -36.63 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.238 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 0.1 OUTLIER -167.99 -175.71 2.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.4 m -61.32 90.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.91 -5.91 59.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.552 1.158 . . . . 0.0 110.996 -179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.796 ' HA ' HD21 ' A' ' 77' ' ' LEU . 2.9 t -95.83 43.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.466 0.745 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.843 HD12 ' CB ' ' A' ' 39' ' ' TRP . 5.9 tt -109.16 116.82 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.807 ' HB3' ' CD1' ' A' ' 83' ' ' TRP . . . -103.16 117.18 33.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.559 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.0 OUTLIER -72.53 167.59 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 108.256 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.595 ' ND2' ' CD2' ' A' ' 73' ' ' PHE . 8.0 t-20 -119.86 70.39 14.06 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.55 ' HD3' ' C ' ' A' ' 47' ' ' CYS . 18.6 Cg_endo -74.89 27.44 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.069 179.937 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -103.49 -17.66 15.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.592 ' OD2' ' N ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -67.39 -62.7 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.57 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 1.3 t80 79.63 -27.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.592 ' N ' ' OD2' ' A' ' 51' ' ' ASP . 66.8 m -33.84 155.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.933 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.47 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 28.2 p -160.04 147.81 16.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.906 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.869 HG12 HD22 ' A' ' 97' ' ' LEU . 1.6 p -145.15 -161.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.691 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.8 m -138.27 159.67 41.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.553 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -75.62 -171.47 1.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 60' ' ' ASN . 57.0 p30 -144.57 137.31 26.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.657 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -15.67 83.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.669 ' N ' ' O ' ' A' ' 58' ' ' ASP . 5.5 t30 148.6 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.471 ' HA3' ' C ' ' A' ' 27' ' ' GLN . . . 114.41 -6.95 22.83 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.502 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 6.6 t -80.08 138.15 36.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 109.934 -179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.756 ' CB ' HD13 ' A' ' 97' ' ' LEU . . . -83.89 169.79 14.72 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.452 ' O ' ' HB ' ' A' ' 65' ' ' THR . 21.6 m -168.22 111.13 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.978 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.863 ' HB ' HG21 ' A' ' 55' ' ' VAL . 9.0 t -177.84 -144.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 110.36 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.504 ' N ' ' OG1' ' A' ' 65' ' ' THR . 50.2 m -134.12 123.06 23.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 109.986 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.55 ' HB2' HG21 ' A' ' 21' ' ' VAL . 5.6 mp -116.07 157.63 24.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.42 93.84 7.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.121 . . . . 0.0 110.373 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.056 HG12 ' CE2' ' A' ' 112' ' ' PHE . 12.0 t -72.37 66.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.378 179.939 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -55.43 142.51 32.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.228 -179.863 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.581 ' O ' ' CE1' ' A' ' 73' ' ' PHE . 3.4 tmm_? -99.17 -68.77 0.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.356 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.434 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 45.4 t -96.44 123.07 39.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.982 179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.595 ' CD2' ' ND2' ' A' ' 48' ' ' ASN . 5.8 p90 -160.72 -175.85 5.2 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' HB3' ' N ' ' A' ' 85' ' ' THR . 1.4 pm0 -118.72 88.13 2.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.438 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -84.27 179.43 51.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -138.56 139.89 38.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.796 HD21 ' HA ' ' A' ' 44' ' ' VAL . 7.1 mp -75.27 -47.67 26.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.59 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER 81.86 15.76 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 111.023 -179.956 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -172.45 33.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -172.29 -63.73 0.04 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.572 HG23 ' N ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -177.38 175.13 1.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 110.392 -179.975 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 26.0 ttt180 -90.17 134.88 34.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.807 ' CD1' ' HB3' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -56.89 -79.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.939 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.612 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 121.88 159.97 10.83 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.833 ' O ' HG23 ' A' ' 85' ' ' THR . 5.5 t -60.81 66.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.406 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.612 ' N ' ' O ' ' A' ' 84' ' ' GLY . 9.9 p -117.8 161.55 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' HB3' HG22 ' A' ' 89' ' ' THR . 0.2 OUTLIER -73.22 122.27 21.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.348 179.97 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -76.38 -28.4 56.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 108.255 -179.953 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.447 ' CB ' ' O ' ' A' ' 112' ' ' PHE . 2.5 t -49.26 -21.77 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -21.26 46.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . -122.56 16.14 10.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.458 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 35.76 78.74 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 -179.935 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 112' ' ' PHE . 5.6 p -65.86 175.66 1.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 108.308 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.571 HE22 HD11 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -126.92 139.24 53.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.297 179.951 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.042 HG11 HG13 ' A' ' 69' ' ' VAL . 1.1 p -121.51 121.49 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -161.66 171.02 37.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.503 1.127 . . . . 0.0 111.032 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.869 HD22 HG12 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -97.45 157.64 15.89 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 0.764 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 33' ' ' ASP . 47.7 t -153.36 164.13 38.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -48.77 169.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.952 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.71 -14.45 21.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.243 -179.998 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.721 ' HB3' ' OD1' ' A' ' 103' ' ' ASN . . . -102.02 -8.19 21.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.115 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.405 ' HA2' ' OG ' ' A' ' 98' ' ' SER . . . 72.54 36.79 58.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.721 ' OD1' ' HB3' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -84.2 150.96 25.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 75.2 68.35 1.56 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.444 1.09 . . . . 0.0 111.021 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.3 Cg_endo -74.89 132.86 16.07 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.419 1.747 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.527 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 2.4 mm-40 157.86 44.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 106' ' ' GLU . . . -47.05 -98.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.581 1.176 . . . . 0.0 110.966 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.973 HG12 ' O ' ' A' ' 95' ' ' VAL . 10.6 p -168.27 109.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.302 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.45 100.4 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.995 HG21 HD11 ' A' ' 13' ' ' LEU . 6.3 mt -112.39 156.18 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.545 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 1.3 m -86.35 112.27 21.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.999 179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.056 ' CE2' HG12 ' A' ' 69' ' ' VAL . 5.5 m-85 -90.28 129.87 36.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 3.2 t30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.344 179.988 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.89 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . -157.46 -179.6 1.14 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.89 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 18.1 Cg_endo -75.05 -156.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.582 1.832 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.64 ' CB ' ' O ' ' A' ' 3' ' ' PRO . 2.5 m 92.48 167.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.423 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . . . -86.42 148.93 25.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.955 ' O ' HG13 ' A' ' 21' ' ' VAL . 11.1 p -150.32 155.38 39.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.365 -179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.027 HG12 ' HD2' ' A' ' 9' ' ' PRO . 4.0 t -106.34 132.6 53.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.58 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -36.72 -60.53 0.75 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.388 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.027 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.5 Cg_endo -75.04 -159.44 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.549 1.815 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.1 p -158.55 25.19 0.23 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.959 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.55 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 69.9 p -170.61 56.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.058 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.683 ' O ' ' N ' ' A' ' 14' ' ' SER . . . -46.6 -31.45 5.14 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.521 1.138 . . . . 0.0 110.937 -179.946 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.55 ' CD1' ' O ' ' A' ' 11' ' ' SER . 0.8 OUTLIER 52.87 -76.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.683 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -36.89 122.85 0.84 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 109.937 -179.897 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.522 ' HA ' ' HG2' ' A' ' 71' ' ' ARG . 7.1 p-10 -58.01 92.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.681 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 99.82 40.6 3.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.459 1.099 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.837 ' O ' HG23 ' A' ' 69' ' ' VAL . 96.3 m -66.12 87.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.425 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.666 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.3 t -67.74 78.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.698 HG13 HG22 ' A' ' 17' ' ' THR . 0.6 OUTLIER -100.47 165.28 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.365 179.93 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.4 143.94 52.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.955 HG13 ' O ' ' A' ' 6' ' ' THR . 98.2 t -146.28 142.0 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -141.7 157.52 44.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.84 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 101.82 -172.4 22.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.766 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 145.01 -157.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 0.765 . . . . 0.0 109.356 179.947 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.72 -2.84 3.81 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.554 1.159 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.659 HD11 ' OD1' ' A' ' 60' ' ' ASN . 1.1 tp 47.91 67.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.397 0.704 . . . . 0.0 109.237 179.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.713 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 47.8 tp60 -84.77 -98.22 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 161.82 79.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.908 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.36 69.9 1.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.449 1.093 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -153.47 153.49 32.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 0.767 . . . . 0.0 110.406 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.23 150.77 10.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.723 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 2.9 m-85 -150.58 79.85 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 98' ' ' SER . 8.3 t70 -60.79 119.63 8.57 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.44 1.088 . . . . 0.0 109.323 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.009 HG13 HD13 ' A' ' 67' ' ' LEU . 71.2 t -56.29 159.21 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' HA2' ' CG ' ' A' ' 51' ' ' ASP . . . -143.48 148.25 19.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -139.09 111.88 7.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 0.778 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.603 ' CB ' HD21 ' A' ' 45' ' ' LEU . 21.9 m -123.8 -179.46 4.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 108.294 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.521 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -145.75 101.93 3.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.95 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.947 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -72.84 132.19 43.23 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.994 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.619 HG22 ' HB1' ' A' ' 91' ' ' ALA . 56.5 t -124.49 -111.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.547 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -59.97 -178.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.5 m -71.5 88.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 179.985 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 106.91 -10.06 40.49 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.903 HG13 HD13 ' A' ' 77' ' ' LEU . 7.5 t -90.45 86.63 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 0.789 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.947 HD12 ' HB2' ' A' ' 39' ' ' TRP . 6.3 tt -113.83 115.16 27.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.24 -179.936 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.941 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -82.85 97.81 8.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.509 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -81.87 142.78 32.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 108.235 -179.993 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.64 ' CG ' ' CE2' ' A' ' 73' ' ' PHE . 5.1 t-20 -110.1 96.84 27.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.08 . . . . 0.0 109.263 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -75.01 35.16 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.462 1.77 . . . . 0.0 111.056 179.92 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' O ' ' CD2' ' A' ' 52' ' ' PHE . . . -127.58 2.06 6.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.572 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.3 OUTLIER -36.54 -38.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.967 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 13.3 m-85 62.26 -61.78 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.044 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.572 ' N ' ' O ' ' A' ' 51' ' ' ASP . 2.1 m -33.36 145.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 110.005 -179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.441 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 14.6 p -161.89 139.5 8.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.047 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.87 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.2 p -144.17 -154.81 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.688 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.0 OUTLIER -144.51 161.6 38.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.723 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -71.34 -179.71 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.702 ' O ' ' C ' ' A' ' 59' ' ' ALA . 55.9 p-10 -137.01 134.65 36.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.702 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.12 82.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.659 ' OD1' HD11 ' A' ' 26' ' ' LEU . 6.7 t30 146.08 -35.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.611 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 117.04 -3.98 18.81 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.478 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -76.78 127.42 32.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 109.969 -179.993 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -78.19 158.64 28.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.476 ' O ' HG21 ' A' ' 55' ' ' VAL . 92.4 p -153.62 113.43 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.97 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.87 ' HB ' HG21 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.05 169.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.394 179.925 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.725 ' C ' HD23 ' A' ' 67' ' ' LEU . 7.6 m -94.18 125.85 39.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.009 HD13 HG13 ' A' ' 34' ' ' VAL . 3.4 mt -106.77 139.56 41.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.916 HG23 ' NE ' ' A' ' 70' ' ' ARG . 1.3 t -82.65 103.86 12.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.837 HG23 ' O ' ' A' ' 17' ' ' THR . 3.0 t -70.12 64.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.916 ' NE ' HG23 ' A' ' 68' ' ' THR . 11.3 mtm180 -65.21 127.44 31.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.561 ' CG ' ' H ' ' A' ' 72' ' ' SER . 0.0 OUTLIER -84.78 -76.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.226 -179.926 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.561 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 46.1 t -55.58 99.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.986 179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.64 ' CE2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -137.89 164.04 29.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.943 -179.98 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.46 ' HB3' ' N ' ' A' ' 85' ' ' THR . 0.3 OUTLIER -121.31 70.47 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.331 179.957 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.616 ' HA3' ' HB1' ' A' ' 46' ' ' ALA . . . -58.9 168.95 5.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.497 ' O ' ' C ' ' A' ' 77' ' ' LEU . 5.9 m-85 -118.6 130.61 55.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 0.784 . . . . 0.0 111.034 179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.903 HD13 HG13 ' A' ' 44' ' ' VAL . 2.3 mm? -33.04 -62.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.583 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 0.2 OUTLIER 158.35 -23.37 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.968 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.39 -65.09 1.01 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.78 39.03 0.11 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 110.972 179.94 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.0 m -123.34 120.23 32.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 0.732 . . . . 0.0 110.459 179.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.55 112.39 19.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.941 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -48.65 -81.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 108.027 179.959 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 163.33 146.59 4.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 85' ' ' THR . 4.8 m -69.42 69.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.515 HG22 ' H ' ' A' ' 87' ' ' ASP . 9.8 p -115.87 170.51 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.811 ' HB3' HG22 ' A' ' 89' ' ' THR . 2.8 m-20 -60.81 89.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 71' ' ' ARG . 13.9 p -49.45 -24.88 2.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 108.273 -179.921 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.811 HG22 ' HB3' ' A' ' 87' ' ' ASP . 10.0 t -52.27 -27.02 13.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.346 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.56 -25.73 65.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.619 ' HB1' HG22 ' A' ' 40' ' ' VAL . . . -111.53 30.66 6.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 38.11 56.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.228 179.941 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.66 ' SG ' ' CG ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -42.64 162.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.079 . . . . 0.0 108.324 179.984 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -135.73 151.14 49.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.931 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.525 HG12 ' CD1' ' A' ' 110' ' ' ILE . 9.7 p -132.94 117.59 30.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.477 ' HA3' ' CA ' ' A' ' 107' ' ' GLY . . . -132.34 -155.88 8.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -112.26 150.79 30.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.403 0.708 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -135.23 153.02 52.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.976 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -87.84 177.41 7.0 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 179.95 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.94 7.54 7.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.48 -8.84 9.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.311 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 69.31 40.87 80.36 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.13 . . . . 0.0 111.048 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 102' ' ' GLY . 4.9 t30 -55.88 -164.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 0.737 . . . . 0.0 109.325 -179.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -47.44 135.04 13.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.685 ' O ' ' CB ' ' A' ' 106' ' ' GLU . 18.5 Cg_endo -75.0 -153.13 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.481 1.78 . . . . 0.0 111.017 179.928 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.685 ' CB ' ' O ' ' A' ' 105' ' ' PRO . 7.7 tt0 103.89 150.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.477 ' CA ' ' HA3' ' A' ' 96' ' ' GLY . . . -168.1 -82.13 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 -179.942 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.719 HG11 ' HA ' ' A' ' 6' ' ' THR . 1.2 p 178.82 132.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 0.781 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -79.44 107.91 12.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.525 ' CD1' HG12 ' A' ' 95' ' ' VAL . 2.3 mp -107.58 159.45 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.476 ' HB2' ' CB ' ' A' ' 11' ' ' SER . 0.8 OUTLIER -88.84 87.09 7.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.075 179.929 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.681 ' CE2' HG12 ' A' ' 69' ' ' VAL . 23.3 m-85 -72.27 171.1 12.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.789 ' HB3' HG21 ' A' ' 89' ' ' THR . 4.5 t30 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.448 ' N ' ' HD3' ' A' ' 3' ' ' PRO . . . 39.15 62.36 4.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.117 . . . . 0.0 109.243 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 2' ' ' ALA . 18.4 Cg_endo -74.96 137.33 21.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.49 1.784 . . . . 0.0 111.063 179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.497 ' O ' ' HA3' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -105.87 -5.15 19.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.135 . . . . 0.0 110.403 -179.941 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.942 ' HB2' ' HA ' ' A' ' 24' ' ' ALA . . . -78.47 135.9 37.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.604 ' O ' HG13 ' A' ' 21' ' ' VAL . 66.6 p -153.56 152.99 31.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.978 HG22 HG22 ' A' ' 21' ' ' VAL . 3.2 t -106.17 122.26 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.783 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 1.0 OUTLIER -29.38 -70.43 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.783 ' HD3' ' HB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -74.98 -89.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.696 ' HA ' HG23 ' A' ' 110' ' ' ILE . 1.4 p 89.99 36.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 110.01 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.666 ' O ' HD23 ' A' ' 13' ' ' LEU . 26.3 t -164.72 144.4 7.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 -179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 48.6 35.9 17.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.076 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.831 HD22 HG21 ' A' ' 17' ' ' THR . 11.8 mt -87.04 -93.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 0.77 . . . . 0.0 109.23 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.52 ' OG ' ' N ' ' A' ' 15' ' ' ASP . 2.0 t 51.94 -178.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.52 ' N ' ' OG ' ' A' ' 14' ' ' SER . 11.4 t0 52.18 29.75 6.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' HA2' ' N ' ' A' ' 70' ' ' ARG . . . 57.62 47.24 89.81 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.4 1.062 . . . . 0.0 110.985 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.831 HG21 HD22 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -61.96 93.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 110.385 -180.0 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.984 HG12 ' HB3' ' A' ' 66' ' ' SER . 1.8 t -70.73 88.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.67 HG13 HG23 ' A' ' 17' ' ' THR . 0.8 OUTLIER -100.9 166.52 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.232 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -66.46 115.87 6.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.911 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.978 HG22 HG22 ' A' ' 7' ' ' VAL . 73.4 t -115.6 139.53 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.237 -180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -135.01 164.77 26.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.85 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 85.22 -168.37 42.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.519 1.137 . . . . 0.0 111.02 -179.935 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.942 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . . . 148.72 -133.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 0.744 . . . . 0.0 109.349 -179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.43 2.13 58.77 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.118 . . . . 0.0 111.062 179.968 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 61' ' ' GLY . 1.9 tp 43.6 56.44 4.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.763 . . . . 0.0 109.233 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 7.3 mm-40 -85.25 -99.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 173.69 96.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.588 1.18 . . . . 0.0 109.23 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 43.27 40.05 4.4 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.514 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 15.7 m -111.3 153.95 25.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.426 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.37 145.95 13.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.823 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 3.5 m-85 -151.69 81.03 1.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 53' ' ' SER . 1.2 t70 -59.16 132.45 54.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.223 -179.944 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.598 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 20.8 t -65.15 151.94 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 36' ' ' GLN . . . -131.86 -162.4 10.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.7 OUTLIER 162.24 112.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.469 0.747 . . . . 0.0 110.308 179.969 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 93' ' ' CYS . 32.7 m -130.3 178.24 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 108.313 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.856 ' HB2' ' HB3' ' A' ' 93' ' ' CYS . . . -145.76 124.73 12.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.147 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.581 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -96.75 127.15 42.46 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.946 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.714 HG22 ' CB ' ' A' ' 91' ' ' ALA . 32.8 t -113.96 -27.88 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' HB2' ' CG2' ' A' ' 44' ' ' VAL . 0.7 OUTLIER 175.94 173.53 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.138 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 63.9 m -55.35 92.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 1.158 . . . . 0.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 105.98 -12.64 45.33 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.495 ' CG1' ' HB ' ' A' ' 40' ' ' VAL . 2.2 t -95.83 39.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.754 . . . . 0.0 109.246 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.946 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -96.52 98.41 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.353 179.95 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 76' ' ' PHE . . . -87.61 111.54 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.432 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 1.2 m -84.93 162.31 19.49 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 108.238 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.509 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 35.2 t30 -115.53 86.97 16.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.602 1.188 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 41.57 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.531 1.806 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.445 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.72 5.58 2.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.522 ' HA ' ' NH1' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -38.37 -47.91 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 66.46 -59.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 179.97 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.598 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 3.2 m -37.1 156.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.945 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.502 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 59.9 p -167.25 145.89 4.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.925 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.957 HG21 ' HB ' ' A' ' 65' ' ' THR . 2.2 p -151.3 -158.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.718 ' H ' HG22 ' A' ' 55' ' ' VAL . 3.2 m -139.81 171.17 14.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 110.382 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.823 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -90.39 174.48 7.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.597 1.186 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.627 ' O ' ' N ' ' A' ' 60' ' ' ASN . 6.8 p30 -128.7 120.59 26.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.408 1.067 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.543 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.62 -89.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.5 m-20 -34.73 -46.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.372 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.563 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 125.06 6.96 6.15 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.433 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -86.23 135.63 33.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 0.802 . . . . 0.0 109.995 179.976 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.85 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -74.7 165.92 24.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.5 m -159.5 108.98 1.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.957 ' HB ' HG21 ' A' ' 55' ' ' VAL . 0.5 OUTLIER 178.84 169.43 0.89 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.404 -179.992 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.984 ' HB3' HG12 ' A' ' 18' ' ' VAL . 4.4 m -86.92 124.86 33.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.032 179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.733 ' HB2' HG21 ' A' ' 21' ' ' VAL . 10.3 mp -113.25 131.45 55.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.757 HG23 ' NE ' ' A' ' 70' ' ' ARG . 3.9 t -77.73 97.69 5.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 110.426 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.048 HG12 ' CE2' ' A' ' 112' ' ' PHE . 3.8 t -67.2 67.49 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.757 ' NE ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -58.0 132.75 54.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.942 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' A' ' 88' ' ' CYS . 29.9 ttp180 -91.76 -77.76 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 87' ' ' ASP . 5.2 t -90.7 132.56 35.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 110.016 179.932 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 85' ' ' THR . 3.7 p90 -174.59 -163.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.707 ' HA ' ' CA ' ' A' ' 84' ' ' GLY . 2.4 mt-10 -99.38 141.52 32.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 110.267 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' O ' ' A' ' 83' ' ' TRP . . . -152.97 -178.68 27.83 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.155 . . . . 0.0 110.956 179.956 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.617 ' CZ ' ' CB ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -153.92 142.65 20.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 111.035 179.931 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.53 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 7.0 mp -67.89 -47.8 67.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 1.3 t80 77.2 14.39 1.92 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 -179.907 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -173.61 33.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -169.34 -62.04 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.646 HG23 ' N ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -173.48 179.1 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.592 0.819 . . . . 0.0 110.417 -179.975 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.646 ' N ' HG23 ' A' ' 81' ' ' THR . 0.0 OUTLIER -77.8 161.01 27.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.283 -179.926 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.522 ' NE1' HG11 ' A' ' 86' ' ' VAL . 6.4 t-105 -152.01 -172.81 4.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.707 ' CA ' ' HA ' ' A' ' 74' ' ' GLU . . . 119.25 -167.65 13.3 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.753 ' O ' HG23 ' A' ' 85' ' ' THR . 1.1 t 39.51 39.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 0.0 110.388 179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.522 HG11 ' NE1' ' A' ' 83' ' ' TRP . 1.0 OUTLIER -142.43 154.07 18.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.961 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.844 ' HB2' HG22 ' A' ' 89' ' ' THR . 24.2 p-10 -80.06 96.1 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.53 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 1.4 p -40.43 -31.39 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 108.293 -179.936 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.844 HG22 ' HB2' ' A' ' 87' ' ' ASP . 15.3 t -44.43 -25.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.512 1.132 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -67.82 -26.54 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.424 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.714 ' CB ' HG22 ' A' ' 40' ' ' VAL . . . -129.83 31.16 4.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.578 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 25.62 84.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.352 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.856 ' HB3' ' HB2' ' A' ' 38' ' ' ALA . 2.7 p -64.08 -172.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.587 1.18 . . . . 0.0 108.297 -179.958 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 4.7 pm0 -147.89 154.9 41.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.656 HG21 ' HA ' ' A' ' 69' ' ' VAL . 86.0 t -123.58 110.6 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.165 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.475 ' HA3' ' CG ' ' A' ' 106' ' ' GLU . . . -128.28 167.9 20.35 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.458 1.099 . . . . 0.0 111.041 179.936 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 32' ' ' TYR . 4.3 mm? -91.66 154.94 18.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.766 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.11 137.18 42.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.563 1.165 . . . . 0.0 110.031 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 99' ' ' ASP . 0.0 OUTLIER -104.06 175.14 5.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.16 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.02 36.2 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -165.44 -41.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.273 179.961 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.491 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -80.56 -55.68 3.35 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.439 1.087 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.491 ' O ' ' O ' ' A' ' 102' ' ' GLY . 22.7 t30 36.75 -158.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 0.768 . . . . 0.0 109.371 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 78.56 -175.69 54.73 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 148.81 36.21 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.558 1.82 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.475 ' CG ' ' HA3' ' A' ' 96' ' ' GLY . 44.7 mp0 -99.5 -78.6 0.5 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 134.91 43.4 0.11 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.541 1.151 . . . . 0.0 111.093 -179.931 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 94' ' ' GLN . 95.6 t -105.75 72.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.0 110.36 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 1.022 HG21 HG11 ' A' ' 69' ' ' VAL . 22.0 mt -110.58 150.96 12.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.51 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -89.18 104.79 17.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.071 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.048 ' CE2' HG12 ' A' ' 69' ' ' VAL . 30.0 m-85 -95.19 126.93 40.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 111.072 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 32.8 t30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.995 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.56 65.87 8.74 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 109.348 179.977 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.876 ' O ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo -75.08 104.91 1.98 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.876 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER 179.97 147.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 110.464 -179.985 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.626 ' HB3' ' HA2' ' A' ' 96' ' ' GLY . . . -92.16 166.13 12.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.784 ' HA ' HG11 ' A' ' 108' ' ' VAL . 35.6 p -145.46 148.68 33.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 110.353 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.896 HG22 HG22 ' A' ' 21' ' ' VAL . 3.0 t -116.13 116.62 52.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.681 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -31.68 -65.88 0.2 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.407 -179.982 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.681 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.4 Cg_endo -75.01 -88.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.967 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.783 ' H ' HD11 ' A' ' 13' ' ' LEU . 3.4 t 69.76 43.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.57 ' O ' ' CD2' ' A' ' 13' ' ' LEU . 53.8 p -167.93 120.62 0.88 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.52 1.137 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 62.41 45.76 95.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.559 1.162 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.783 HD11 ' H ' ' A' ' 10' ' ' SER . 0.0 OUTLIER -150.81 -110.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.776 ' CB ' ' CD1' ' A' ' 112' ' ' PHE . 0.6 OUTLIER 42.45 -143.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.99 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.507 ' HA ' ' CB ' ' A' ' 71' ' ' ARG . 28.3 t0 52.07 49.68 20.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.17 18.91 65.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.459 1.099 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.556 HG21 ' HB2' ' A' ' 13' ' ' LEU . 2.4 m -86.35 111.2 20.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 110.402 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.831 HG12 ' HB2' ' A' ' 66' ' ' SER . 2.4 t -85.01 95.78 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.2 OUTLIER -106.28 166.79 3.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.939 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -66.21 124.59 23.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.896 HG22 HG22 ' A' ' 7' ' ' VAL . 2.4 t -124.39 126.35 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.397 1.061 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.04 152.58 42.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.886 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 106.49 -171.53 17.49 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.454 1.097 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.771 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 141.99 -154.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 0.805 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -3.62 6.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.579 1.174 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.693 HD11 ' OD1' ' A' ' 60' ' ' ASN . 35.5 tp 45.72 67.59 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 0.792 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.673 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 2.0 tp-100 -84.51 -105.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 164.55 69.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.63 67.11 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.075 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 31' ' ' ALA . 12.3 m -155.36 164.98 38.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.376 -179.904 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' N ' HG22 ' A' ' 30' ' ' THR . . . -73.08 153.55 40.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CE1' ' OD2' ' A' ' 99' ' ' ASP . 3.8 m-85 -147.21 78.43 1.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -48.42 127.62 13.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.888 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.769 HG21 HD22 ' A' ' 67' ' ' LEU . 70.4 t -70.26 149.42 10.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.682 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -126.71 -172.66 13.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.534 1.146 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.559 ' O ' ' CB ' ' A' ' 48' ' ' ASN . 0.0 OUTLIER 176.22 107.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 110.297 -179.964 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.529 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 13.0 m -120.33 174.43 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.659 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -118.91 124.38 46.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.467 ' N ' HE22 ' A' ' 94' ' ' GLN . 0.4 OUTLIER -93.25 101.88 14.15 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.98 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.868 HG21 ' CZ2' ' A' ' 83' ' ' TRP . 59.3 t -87.25 -111.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.59 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -92.07 33.94 1.04 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 43' ' ' GLY . 0.6 OUTLIER 70.66 -56.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.353 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.435 ' N ' HG22 ' A' ' 42' ' ' THR . . . -63.78 -15.61 58.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.407 1.067 . . . . 0.0 111.025 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.473 ' CG1' ' HG ' ' A' ' 77' ' ' LEU . 6.2 t -124.24 120.51 59.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -130.5 106.33 8.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.71 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -85.13 98.19 10.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.529 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -76.34 152.96 36.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 179.942 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.656 ' HB2' ' CE2' ' A' ' 73' ' ' PHE . 45.9 t30 -113.66 91.67 21.79 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.528 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 18.0 Cg_endo -74.99 35.26 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.534 1.807 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.489 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -134.03 5.46 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 109.268 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.566 ' O ' ' N ' ' A' ' 53' ' ' SER . 0.1 OUTLIER -42.26 -45.64 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.485 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.2 OUTLIER 64.09 -56.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 179.978 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.566 ' N ' ' O ' ' A' ' 51' ' ' ASP . 3.6 m -32.53 148.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.2 p -144.14 142.93 30.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.063 -179.927 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.726 HG23 ' CG2' ' A' ' 65' ' ' THR . 0.8 OUTLIER -135.81 177.97 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.48 ' H ' HG22 ' A' ' 55' ' ' VAL . 1.8 m -138.74 153.81 48.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.406 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.778 ' HB1' ' HA2' ' A' ' 61' ' ' GLY . . . -70.48 171.72 9.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.709 ' O ' ' C ' ' A' ' 59' ' ' ALA . 49.9 p30 -132.22 129.84 40.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.604 1.19 . . . . 0.0 109.23 -179.95 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.709 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -4.61 73.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.953 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.708 ' N ' ' O ' ' A' ' 58' ' ' ASP . 13.1 t30 156.34 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.778 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 124.81 -10.75 7.92 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.492 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 48.2 t -75.93 132.81 40.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.886 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -81.1 164.74 22.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.358 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' A' ' 65' ' ' THR . 20.3 p -167.99 111.53 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 -179.952 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.726 ' CG2' HG23 ' A' ' 55' ' ' VAL . 0.6 OUTLIER 177.49 172.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.445 179.997 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.831 ' HB2' HG12 ' A' ' 18' ' ' VAL . 77.5 p -85.0 124.07 31.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.886 ' HB2' HG21 ' A' ' 21' ' ' VAL . 21.3 mt -119.0 139.7 51.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.67 ' HB ' HG22 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -85.36 113.2 21.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.378 -179.979 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.671 HG11 ' HB ' ' A' ' 110' ' ' ILE . 2.0 t -87.51 61.72 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.641 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -48.4 127.05 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.24 -179.956 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.642 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 1.3 ttm180 -87.25 -76.24 0.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 110.312 179.937 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.4 t -74.15 107.06 6.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 110.056 179.975 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.656 ' CE2' ' HB2' ' A' ' 48' ' ' ASN . 1.0 OUTLIER -151.37 -164.72 2.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.592 ' N ' ' CD2' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -124.73 119.83 30.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.469 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -123.65 149.52 16.88 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.618 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 13.7 p90 -102.54 130.75 49.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 0.811 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.634 ' O ' ' CB ' ' A' ' 78' ' ' PHE . 7.5 mp -43.0 -65.06 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.634 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER 153.22 -22.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 -179.913 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.22 -68.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -169.32 31.11 0.16 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 82' ' ' ARG . 37.2 m -133.96 172.09 13.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.485 0.756 . . . . 0.0 110.449 179.949 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.516 ' N ' HG22 ' A' ' 81' ' ' THR . 3.0 ptp180 -164.5 148.26 9.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 -179.898 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.868 ' CZ2' HG21 ' A' ' 40' ' ' VAL . 39.7 m95 -73.2 -62.27 1.53 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 -180.0 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.538 ' HA2' ' CB ' ' A' ' 74' ' ' GLU . . . 82.18 139.31 3.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.767 ' O ' HG23 ' A' ' 85' ' ' THR . 1.4 t 29.91 41.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 84' ' ' GLY . 2.4 p -97.84 146.63 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 179.965 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.586 ' HB2' HG22 ' A' ' 89' ' ' THR . 2.6 p30 -79.24 114.64 18.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.942 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 5.1 m -65.03 -37.45 87.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.332 179.967 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.586 HG22 ' HB2' ' A' ' 87' ' ' ASP . 4.7 t -48.89 -25.76 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -78.72 -20.08 50.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.393 -179.966 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.593 ' O ' ' C ' ' A' ' 92' ' ' ALA . . . -133.48 26.67 4.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.593 ' C ' ' O ' ' A' ' 91' ' ' ALA . . . 23.81 77.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 38' ' ' ALA . 58.5 m -58.56 174.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 108.291 179.984 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 108' ' ' VAL . 4.9 pm0 -135.02 157.36 47.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 35' ' ' GLY . 7.3 p -131.13 107.95 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.626 ' HA2' ' HB3' ' A' ' 5' ' ' ALA . . . -122.22 165.5 15.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.436 1.085 . . . . 0.0 111.065 179.973 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.623 ' CD2' ' HB2' ' A' ' 5' ' ' ALA . 1.3 mm? -88.57 151.16 22.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.4 t -146.78 123.93 11.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.574 ' OD2' ' CE1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -100.96 173.23 6.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 -179.994 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.11 36.72 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -168.59 -39.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.951 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.559 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -79.17 -54.63 4.01 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.498 1.123 . . . . 0.0 111.021 179.967 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.559 ' O ' ' O ' ' A' ' 102' ' ' GLY . 1.3 p30 37.23 -163.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.523 ' N ' ' OD1' ' A' ' 103' ' ' ASN . . . 126.44 -149.76 17.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 179.948 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -169.89 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.562 1.822 . . . . 0.0 111.001 -179.945 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.461 ' CB ' ' HG3' ' A' ' 94' ' ' GLN . 2.3 mp0 -71.13 -141.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -131.53 -56.85 0.09 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.545 1.153 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.784 HG11 ' HA ' ' A' ' 6' ' ' THR . 5.9 p -169.51 150.01 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -89.08 116.96 27.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 179.986 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.718 HG23 ' HA ' ' A' ' 10' ' ' SER . 1.5 mp -96.83 139.89 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.235 179.996 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.498 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -80.53 106.31 12.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.95 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.776 ' CD1' ' CB ' ' A' ' 14' ' ' SER . 0.8 OUTLIER -83.11 25.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 111.052 179.99 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 -179.976 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.718 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 1' ' ' ALA . . . 87.21 132.05 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.974 ' O ' HG23 ' A' ' 4' ' ' THR . 18.3 Cg_endo -75.03 159.38 41.31 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.511 1.795 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.974 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER 176.84 163.73 0.46 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.397 179.991 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.569 ' HB2' HD23 ' A' ' 97' ' ' LEU . . . -98.35 158.15 15.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.362 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.631 ' O ' HG13 ' A' ' 21' ' ' VAL . 77.9 p -140.23 154.53 46.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.387 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.007 HG12 ' HD2' ' A' ' 9' ' ' PRO . 3.9 t -116.45 136.11 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.553 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -35.69 -59.32 0.75 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.411 179.973 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.007 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.2 Cg_endo -75.09 -177.9 3.81 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.451 1.764 . . . . 0.0 110.953 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 110' ' ' ILE . 8.8 p -140.52 -21.86 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.035 179.948 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 111' ' ' SER . 82.5 p -176.24 174.21 2.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.022 -179.947 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 111' ' ' SER . . . 70.73 25.2 76.12 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.061 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.875 HD21 ' HB2' ' A' ' 9' ' ' PRO . 4.7 mt -84.6 -150.01 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 0.755 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.6 ' O ' ' CE2' ' A' ' 112' ' ' PHE . 2.0 t -152.64 140.85 20.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.51 ' CA ' ' HG2' ' A' ' 71' ' ' ARG . 62.6 t0 -42.47 117.51 1.03 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.411 ' HA2' ' OG1' ' A' ' 68' ' ' THR . . . 85.56 31.65 21.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.559 1.162 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.674 HG21 HD13 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -77.16 96.08 4.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 0.777 . . . . 0.0 110.328 -179.917 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.998 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.4 t -87.22 86.49 2.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.541 1.151 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.709 HG23 ' CG1' ' A' ' 7' ' ' VAL . 2.9 m -110.67 162.41 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -53.76 138.61 35.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 -179.958 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.809 ' CG2' HG13 ' A' ' 7' ' ' VAL . 46.2 t -141.65 121.37 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.415 1.072 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -121.98 150.32 42.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.964 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.734 ' O ' ' HB2' ' A' ' 24' ' ' ALA . . . 109.31 173.57 21.02 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 179.956 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.734 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 158.36 -155.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.11 -1.65 7.38 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.488 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 12.6 tp 52.47 67.03 1.05 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.421 0.718 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.519 ' CG ' ' OH ' ' A' ' 32' ' ' TYR . 9.2 mm-40 -92.3 -101.08 0.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 -179.942 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 178.4 96.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 37.8 39.92 0.68 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.519 1.137 . . . . 0.0 111.026 -179.951 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.429 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 0.9 OUTLIER -109.43 157.62 18.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 0.768 . . . . 0.0 110.378 -179.95 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.35 147.1 8.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.887 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 2.0 m-85 -151.32 82.07 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 98' ' ' SER . 1.8 t70 -59.16 127.87 34.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.776 HG22 HD13 ' A' ' 67' ' ' LEU . 64.5 t -58.83 159.09 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.334 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -149.58 147.03 16.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.664 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -138.93 119.29 13.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.322 179.975 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.497 ' HB3' HD21 ' A' ' 45' ' ' LEU . 22.2 m -129.56 -178.18 4.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 108.319 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 93' ' ' CYS . . . -147.77 123.98 10.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.81 ' HB2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -98.33 133.2 43.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 107.969 -179.996 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.591 HG12 ' N ' ' A' ' 41' ' ' ASP . 58.8 t -123.65 -111.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.591 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -62.4 179.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.578 1.174 . . . . 0.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.8 m -68.74 90.96 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.384 -179.993 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.74 -5.88 51.49 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.554 1.158 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.959 HG12 HG23 ' A' ' 81' ' ' THR . 25.1 t -91.75 70.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 0.761 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.81 HD12 ' HB2' ' A' ' 39' ' ' TRP . 2.7 tt -117.03 112.79 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.545 ' N ' HG21 ' A' ' 81' ' ' THR . . . -92.01 133.07 36.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 37' ' ' CYS . 0.6 OUTLIER -96.94 154.74 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 108.288 179.988 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.668 ' CG ' ' CD2' ' A' ' 73' ' ' PHE . 1.9 t-20 -114.85 89.73 20.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.591 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 18.2 Cg_endo -75.09 42.07 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.56 1.821 . . . . 0.0 110.991 -179.981 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -132.32 2.55 3.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -40.63 -50.99 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.237 -179.981 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER 74.65 -58.69 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.996 -179.941 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.648 ' HB3' HG21 ' A' ' 34' ' ' VAL . 2.4 m -36.35 152.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.968 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.443 ' HA ' ' H ' ' A' ' 34' ' ' VAL . 10.7 p -159.45 144.13 15.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 109.962 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.87 HG21 ' CG2' ' A' ' 65' ' ' THR . 2.1 p -147.05 -156.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.707 ' H ' HG22 ' A' ' 55' ' ' VAL . 3.2 m -139.75 170.22 16.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.955 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.887 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -91.74 177.79 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.653 ' O ' ' N ' ' A' ' 60' ' ' ASN . 7.0 p30 -131.03 119.6 22.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.951 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.536 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 29.89 -88.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 -179.923 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.653 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.1 m-20 -34.91 -46.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.592 ' C ' ' HB1' ' A' ' 57' ' ' ALA . . . 125.63 5.88 6.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 5.0 m -88.55 139.84 30.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.993 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -69.24 166.36 18.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 65' ' ' THR . 9.0 p -165.24 99.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.87 ' CG2' HG21 ' A' ' 55' ' ' VAL . 12.2 t -177.39 165.27 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.374 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 13.1 m -84.23 109.08 17.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.979 -179.977 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.776 HD13 HG22 ' A' ' 34' ' ' VAL . 17.1 mt -104.98 152.07 23.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.12 . . . . 0.0 109.365 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.998 ' HB ' HG22 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -96.66 114.49 26.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.347 -179.96 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.867 HG13 ' CG1' ' A' ' 95' ' ' VAL . 1.1 t -86.78 57.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.918 ' NE ' HG23 ' A' ' 68' ' ' THR . 3.1 mtm180 -43.35 129.29 4.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.628 ' HA ' ' HB3' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -79.37 -75.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -180.0 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.602 ' H ' ' CG ' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -58.56 100.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.984 -179.986 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.668 ' CD2' ' CG ' ' A' ' 48' ' ' ASN . 0.1 OUTLIER -137.86 152.3 48.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.971 179.992 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.565 ' HG3' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -87.31 98.3 11.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.33 179.958 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.425 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -69.47 121.68 11.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.547 1.155 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.591 ' CD1' ' HD2' ' A' ' 49' ' ' PRO . 92.2 m-85 -102.71 123.51 46.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 110.998 -179.94 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.884 HD23 ' N ' ' A' ' 81' ' ' THR . 1.2 mt -25.5 -75.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.9 t80 67.55 4.19 3.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.3 t0 177.74 -35.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.945 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 157.73 57.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 -179.99 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.959 HG23 HG12 ' A' ' 44' ' ' VAL . 38.4 m -148.44 98.98 2.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 0.743 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.03 97.52 11.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 1.161 ' CZ3' HG21 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -99.0 -89.35 0.31 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.989 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.488 ' O ' ' C ' ' A' ' 85' ' ' THR . . . 81.68 111.36 0.38 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.041 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.748 HG22 ' O ' ' A' ' 85' ' ' THR . 0.7 OUTLIER 31.61 86.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.771 . . . . 0.0 110.412 -179.947 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 1.161 HG21 ' CZ3' ' A' ' 83' ' ' TRP . 0.5 OUTLIER -139.5 169.26 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.419 ' O ' ' HB ' ' A' ' 90' ' ' THR . 0.2 OUTLIER -90.03 119.58 30.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.971 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.628 ' HB3' ' HA ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -59.79 -46.39 89.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 108.263 -179.992 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.1 t -49.9 -23.02 1.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.437 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -88.06 -22.27 24.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.085 . . . . 0.0 110.383 -179.952 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.537 ' HB2' ' CZ2' ' A' ' 83' ' ' TRP . . . -119.04 17.17 13.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.576 1.173 . . . . 0.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.57 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 36.9 50.45 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 38' ' ' ALA . 0.6 OUTLIER -50.77 -178.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 108.269 -179.961 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.455 ' N ' ' OE1' ' A' ' 94' ' ' GLN . 13.4 pm0 -147.39 160.78 42.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 179.982 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.867 ' CG1' HG13 ' A' ' 69' ' ' VAL . 10.4 p -133.82 101.19 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.468 ' CA ' ' HA3' ' A' ' 107' ' ' GLY . . . -111.32 -164.75 18.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.59 HD12 ' HB3' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -105.67 153.95 21.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -139.29 153.74 47.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.98 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.35 171.1 9.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.361 179.908 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.51 -16.54 10.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -90.42 -5.79 55.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.82 19.42 78.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.552 1.158 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -93.35 -170.91 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 109.246 -179.931 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 54.97 65.29 3.64 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.487 1.117 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -167.25 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.4 ' O ' ' HA3' ' A' ' 96' ' ' GLY . 0.2 OUTLIER 69.31 165.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.343 179.962 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.468 ' HA3' ' CA ' ' A' ' 96' ' ' GLY . . . -178.83 -75.37 0.06 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.657 HG11 HG23 ' A' ' 7' ' ' VAL . 13.3 p -170.78 128.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.514 0.773 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -83.01 120.49 25.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.96 HD11 ' HB ' ' A' ' 7' ' ' VAL . 16.7 mt -115.66 147.97 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.574 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -111.59 124.49 52.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 -179.965 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.802 ' CZ ' ' O ' ' A' ' 69' ' ' VAL . 3.1 m-85 -102.12 131.09 48.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.354 179.969 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.916 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . -178.9 -177.19 0.22 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.916 ' HD2' ' HB1' ' A' ' 2' ' ' ALA . 18.5 Cg_endo -74.94 157.96 42.71 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.559 1.82 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.764 HG22 ' C ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 166.24 170.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.383 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.437 ' N ' ' OG1' ' A' ' 4' ' ' THR . . . -100.33 161.44 13.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.963 ' O ' HG13 ' A' ' 21' ' ' VAL . 78.4 p -148.26 154.85 40.59 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 110.366 -179.951 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.887 HG13 HG22 ' A' ' 21' ' ' VAL . 1.9 t -99.39 152.72 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.501 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -55.27 -56.53 27.68 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.477 179.957 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.886 ' HD2' HG12 ' A' ' 7' ' ' VAL . 18.4 Cg_endo -74.97 161.7 38.41 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.483 1.78 . . . . 0.0 111.027 179.956 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.541 ' C ' HG23 ' A' ' 110' ' ' ILE . 3.8 m -133.89 4.97 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 179.963 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 111' ' ' SER . 89.7 p -176.32 157.84 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.414 1.071 . . . . 0.0 109.976 179.957 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 13' ' ' LEU . . . 65.87 38.17 94.03 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.447 1.092 . . . . 0.0 111.01 -179.96 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.922 HD11 ' CG2' ' A' ' 110' ' ' ILE . 53.4 mt -61.39 -142.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 16' ' ' GLY . 1.9 t -171.13 151.56 3.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.965 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.422 ' HA ' ' HG3' ' A' ' 71' ' ' ARG . 6.1 p-10 -56.35 88.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.068 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' SER . . . 89.45 43.9 5.1 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.872 HG21 ' HB3' ' A' ' 13' ' ' LEU . 2.2 t -74.9 89.23 2.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 0.778 . . . . 0.0 110.365 179.947 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.59 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.3 t -78.82 81.18 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.916 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.634 ' CG2' HG12 ' A' ' 7' ' ' VAL . 10.3 m -101.11 177.42 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.58 1.175 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -72.09 139.58 48.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.941 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.963 HG13 ' O ' ' A' ' 6' ' ' THR . 86.4 t -141.96 137.45 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.929 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 63' ' ' ALA . . . -136.18 160.81 37.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.358 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.874 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 104.51 171.09 24.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 156.55 -157.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 0.784 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.46 -0.84 5.13 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.432 1.083 . . . . 0.0 111.046 179.972 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.569 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 1.0 OUTLIER 49.83 55.65 9.08 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.485 0.756 . . . . 0.0 109.353 179.96 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.511 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 6.4 mm-40 -81.97 -98.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 175.08 87.95 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' N ' ' HB3' ' A' ' 57' ' ' ALA . . . 56.08 16.08 12.41 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.2 m -83.74 152.02 24.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 0.734 . . . . 0.0 110.346 -179.956 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' ' CD1' ' A' ' 32' ' ' TYR . . . -58.63 145.71 38.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.677 ' O ' HG12 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -148.19 80.13 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 -179.97 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 98' ' ' SER . 0.1 OUTLIER -47.31 137.03 8.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.544 HG22 HD21 ' A' ' 67' ' ' LEU . 16.2 t -78.72 139.98 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.16 135.77 9.52 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.524 ' OE1' ' HG2' ' A' ' 70' ' ' ARG . 1.5 tp60 -134.47 111.87 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.519 ' CB ' ' HA ' ' A' ' 47' ' ' CYS . 34.0 m -127.46 -174.43 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 108.321 179.976 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.601 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -144.4 101.24 3.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.542 ' HB2' HD12 ' A' ' 45' ' ' LEU . 6.0 t90 -84.75 134.65 34.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 107.945 -179.991 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.925 ' CG2' ' HB1' ' A' ' 91' ' ' ALA . 75.5 t -126.25 -40.22 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.418 ' N ' ' HB ' ' A' ' 44' ' ' VAL . 2.1 m-20 -169.31 179.98 3.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 64.8 m -58.46 93.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.378 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.8 -10.17 52.29 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.478 ' O ' ' HB ' ' A' ' 40' ' ' VAL . 2.1 t -98.32 44.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.597 HD23 ' C ' ' A' ' 45' ' ' LEU . 5.9 tt -114.26 94.3 4.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.08 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.939 ' HB2' ' CG2' ' A' ' 81' ' ' THR . . . -84.11 122.55 28.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.542 ' HB2' ' CG ' ' A' ' 78' ' ' PHE . 1.1 m -89.22 161.78 16.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.486 1.116 . . . . 0.0 108.287 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 36' ' ' GLN . 45.9 t30 -117.74 80.79 14.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 -179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.575 ' HD2' ' CD1' ' A' ' 76' ' ' PHE . 18.0 Cg_endo -75.09 36.76 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.788 . . . . 0.0 110.935 -179.89 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.625 ' O ' ' CE2' ' A' ' 52' ' ' PHE . . . -130.13 -0.41 4.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.585 ' O ' ' HB2' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -61.41 -63.39 1.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.625 ' CE2' ' O ' ' A' ' 50' ' ' ALA . 9.1 m-85 77.39 -30.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.953 179.93 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.538 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 18.7 m -35.68 149.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.028 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 t -144.31 145.79 32.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.416 1.073 . . . . 0.0 109.994 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 32' ' ' TYR . 7.4 p -135.14 169.02 22.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.562 ' N ' HG22 ' A' ' 55' ' ' VAL . 1.4 m -128.59 142.06 51.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.372 1.045 . . . . 0.0 110.4 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.541 ' HB1' ' C ' ' A' ' 61' ' ' GLY . . . -68.68 171.5 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' A' ' 60' ' ' ASN . 8.9 p30 -132.29 121.12 23.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.529 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 30.69 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.651 ' N ' ' O ' ' A' ' 58' ' ' ASP . 1.8 m120 -37.57 -45.59 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.569 ' C ' ' HA ' ' A' ' 26' ' ' LEU . . . 127.88 -0.43 6.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.945 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.472 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.3 OUTLIER -78.87 140.12 38.2 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 0.746 . . . . 0.0 109.994 179.95 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.874 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -72.12 159.42 34.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' A' ' 65' ' ' THR . 24.9 p -161.31 105.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 -179.934 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.58 ' HB ' HG23 ' A' ' 55' ' ' VAL . 2.2 t -177.88 174.82 1.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.989 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 19' ' ' VAL . 4.5 m -90.26 116.04 27.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.685 ' HB2' HG21 ' A' ' 21' ' ' VAL . 9.8 mp -105.02 142.93 33.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.664 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 1.8 t -91.56 99.97 12.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.776 HG12 ' CE2' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -78.35 66.04 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.664 ' CZ ' HG23 ' A' ' 68' ' ' THR . 0.0 OUTLIER -62.44 141.2 58.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.252 -179.972 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.614 ' HB3' ' CD2' ' A' ' 112' ' ' PHE . 0.6 OUTLIER -110.26 -71.08 0.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.18 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.422 ' H ' ' HG3' ' A' ' 71' ' ' ARG . 0.3 OUTLIER -62.07 103.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.017 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.654 ' CZ ' ' SG ' ' A' ' 88' ' ' CYS . 0.0 OUTLIER -156.08 -160.39 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.592 1.183 . . . . 0.0 110.947 -179.992 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -117.0 103.05 9.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.259 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.642 ' C ' ' HB1' ' A' ' 46' ' ' ALA . . . -67.16 121.65 16.5 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 110.997 179.922 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.593 ' O ' ' C ' ' A' ' 77' ' ' LEU . 75.7 m-85 -97.54 119.94 37.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 0.8 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.94 HD23 ' N ' ' A' ' 81' ' ' THR . 1.1 mt -23.04 -78.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.542 ' CG ' ' HB2' ' A' ' 47' ' ' CYS . 20.9 t80 64.06 5.54 2.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.923 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -174.39 -36.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.56 54.85 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.9 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.94 ' N ' HD23 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -153.38 105.34 2.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 0.768 . . . . 0.0 110.371 179.938 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.434 ' HB2' HD21 ' A' ' 77' ' ' LEU . 12.6 ttt180 -103.09 97.98 7.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.405 1.065 . . . . 0.0 110.238 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -100.81 -106.47 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -179.963 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.687 ' O ' ' N ' ' A' ' 86' ' ' VAL . . . 121.72 -149.13 17.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.6 m -50.54 75.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.758 . . . . 0.0 110.399 -179.978 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.687 ' N ' ' O ' ' A' ' 84' ' ' GLY . 0.5 OUTLIER -141.12 163.94 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.606 ' HB2' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -89.37 121.87 32.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.961 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.654 ' SG ' ' CZ ' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -59.71 -30.42 68.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 108.273 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.606 HG22 ' HB2' ' A' ' 87' ' ' ASP . 1.8 t -50.84 -17.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.394 179.975 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 88' ' ' CYS . 0.8 OUTLIER -92.72 -15.25 26.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.925 ' HB1' ' CG2' ' A' ' 40' ' ' VAL . . . -126.9 12.46 7.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 88' ' ' CYS . . . 42.37 89.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.612 ' CB ' ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -62.69 -176.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 108.308 -179.924 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.511 ' OE1' ' CA ' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -159.22 142.52 14.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.441 1.088 . . . . 0.0 110.342 -179.929 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 1.013 ' O ' HG12 ' A' ' 108' ' ' VAL . 4.2 p -132.86 123.64 49.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.364 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.458 ' HA3' ' HA2' ' A' ' 107' ' ' GLY . . . -143.0 -166.51 11.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.918 ' O ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -82.07 156.41 24.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 0.742 . . . . 0.0 109.291 -179.948 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.88 ' N ' HD22 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -156.33 119.2 4.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.997 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.78 172.77 7.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 -179.995 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.71 26.88 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.383 179.982 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -147.63 -42.81 0.17 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.934 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.556 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -81.98 -61.95 1.97 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.449 1.093 . . . . 0.0 111.063 179.935 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.568 ' CG ' ' N ' ' A' ' 104' ' ' GLY . 0.6 OUTLIER 37.4 -163.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.568 ' N ' ' CG ' ' A' ' 103' ' ' ASN . . . 90.8 -170.74 35.22 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.937 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.13 118.86 5.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.924 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -169.91 31.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.458 ' HA2' ' HA3' ' A' ' 96' ' ' GLY . . . -92.54 153.52 21.71 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 1.013 HG12 ' O ' ' A' ' 95' ' ' VAL . 13.6 p -81.59 114.36 22.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.253 -179.952 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 93' ' ' CYS . . . -66.32 113.97 5.01 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.143 . . . . 0.0 109.38 179.927 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.922 ' CG2' HD11 ' A' ' 13' ' ' LEU . 95.8 mt -121.83 154.19 26.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.512 ' O ' ' HA ' ' A' ' 11' ' ' SER . 0.3 OUTLIER -84.37 117.97 23.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.954 -179.984 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.776 ' CE2' HG12 ' A' ' 69' ' ' VAL . 23.2 m-85 -98.11 127.37 44.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.449 ' OD1' ' NH2' ' A' ' 71' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.926 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.614 ' O ' ' HB3' ' A' ' 2' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.717 ' HB1' ' HD2' ' A' ' 3' ' ' PRO . . . 79.8 172.13 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.955 ' O ' HG23 ' A' ' 4' ' ' THR . 18.2 Cg_endo -75.05 165.83 30.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.424 1.749 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.955 HG23 ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER 179.77 157.86 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.472 -179.962 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' ' 97' ' ' LEU . . . -98.72 168.75 9.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.444 ' CG2' ' C ' ' A' ' 5' ' ' ALA . 26.6 p -151.63 157.49 42.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 179.989 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.847 HG22 HG23 ' A' ' 21' ' ' VAL . 13.9 t -105.71 119.25 54.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.696 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.9 OUTLIER -33.46 -66.57 0.21 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.409 179.962 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.696 ' HD3' ' CB ' ' A' ' 8' ' ' THR . 18.2 Cg_endo -74.96 -163.86 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.53 1.805 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.525 ' HA ' HD13 ' A' ' 110' ' ' ILE . 0.3 OUTLIER -161.82 36.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.996 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.766 ' OG ' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -140.74 94.27 2.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.04 179.989 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.67 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -71.48 -0.1 36.86 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.41 1.069 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.766 HD21 ' OG ' ' A' ' 11' ' ' SER . 4.5 mt -13.54 -63.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.777 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.5 t -75.83 96.24 3.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 110.04 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.482 ' CB ' ' HB3' ' A' ' 71' ' ' ARG . 7.3 p-10 -45.02 108.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.65 ' N ' ' HA ' ' A' ' 70' ' ' ARG . . . 92.2 32.74 8.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.435 1.084 . . . . 0.0 110.96 179.927 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.492 HG21 ' HA2' ' A' ' 12' ' ' GLY . 1.3 t -74.8 95.13 2.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 0.752 . . . . 0.0 110.365 -179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.609 HG22 ' HB ' ' A' ' 68' ' ' THR . 2.2 t -68.15 75.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.566 ' O ' ' HA ' ' A' ' 66' ' ' SER . 0.8 OUTLIER -82.14 165.37 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 65' ' ' THR . 8.9 tttt -62.94 135.81 57.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.35 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.847 HG23 HG22 ' A' ' 7' ' ' VAL . 1.1 t -127.76 142.15 44.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.284 -179.918 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.76 148.58 33.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.864 ' O ' ' HB3' ' A' ' 63' ' ' ALA . . . 97.69 -171.75 26.59 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.937 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.763 ' HB2' ' O ' ' A' ' 23' ' ' GLY . . . 145.18 -155.99 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 0.787 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.29 -3.42 3.83 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 -179.987 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.477 ' HA ' ' C ' ' A' ' 61' ' ' GLY . 0.6 OUTLIER 46.99 66.56 0.97 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 0.765 . . . . 0.0 109.345 179.988 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.686 ' O ' ' HB2' ' A' ' 28' ' ' ALA . 67.1 tp60 -76.77 -99.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.09 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . 163.0 46.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.06 71.53 1.0 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.443 ' CG2' ' HG2' ' A' ' 27' ' ' GLN . 0.7 OUTLIER -156.81 158.41 36.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.787 . . . . 0.0 110.341 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.54 151.08 21.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.711 ' CE2' ' HB2' ' A' ' 57' ' ' ALA . 2.8 m-85 -148.68 79.2 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 54' ' ' SER . 0.6 OUTLIER -56.59 131.37 48.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.593 ' HB ' ' CB ' ' A' ' 53' ' ' SER . 2.6 t -66.38 161.57 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.563 ' O ' ' CG ' ' A' ' 36' ' ' GLN . . . -138.13 -171.97 12.38 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.446 1.091 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.573 ' HG2' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER 174.25 115.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 0.807 . . . . 0.0 110.258 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.553 ' O ' ' HB3' ' A' ' 93' ' ' CYS . 5.1 m -122.76 171.5 9.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 108.341 179.936 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.526 ' HB2' ' SG ' ' A' ' 93' ' ' CYS . . . -141.55 165.63 26.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.618 ' HE1' ' NE2' ' A' ' 94' ' ' GLN . 21.0 m95 -118.59 121.36 40.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.008 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.542 HG21 ' CG ' ' A' ' 83' ' ' TRP . 10.3 t -88.76 -127.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.947 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.695 ' O ' HG22 ' A' ' 42' ' ' THR . 3.9 t0 -114.11 145.45 41.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 1.006 HG22 HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER 81.2 19.83 0.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.446 -179.973 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.05 0.62 89.78 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.006 HG23 HG22 ' A' ' 42' ' ' THR . 4.6 t -49.14 142.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.561 HD12 ' CZ2' ' A' ' 39' ' ' TRP . 2.9 tt -134.67 106.12 6.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.461 ' HB2' ' CD1' ' A' ' 83' ' ' TRP . . . -102.82 126.2 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 1.3 m -91.46 156.34 17.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.347 1.029 . . . . 0.0 108.24 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.769 ' HB2' ' CZ ' ' A' ' 73' ' ' PHE . 16.6 t-20 -107.6 97.66 20.91 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 47' ' ' CYS . 18.5 Cg_endo -74.97 36.22 0.43 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.454 1.765 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' A' ' 48' ' ' ASN . . . -136.75 8.27 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -36.57 -41.42 0.3 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.984 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' SER . 0.1 OUTLIER 67.41 -61.82 0.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 0.0 110.934 179.985 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.593 ' CB ' ' HB ' ' A' ' 34' ' ' VAL . 4.3 m -35.48 151.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.998 -179.981 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 33' ' ' ASP . 52.9 p -158.35 143.99 16.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.956 HG21 ' CG2' ' A' ' 65' ' ' THR . 0.6 OUTLIER -146.4 -162.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.966 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.699 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.2 m -146.32 163.97 33.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.941 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.711 ' HB2' ' CE2' ' A' ' 32' ' ' TYR . . . -73.87 -179.84 3.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.702 ' O ' ' C ' ' A' ' 59' ' ' ALA . 56.5 p30 -137.02 134.35 36.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.702 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -9.41 80.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.075 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.662 ' N ' ' O ' ' A' ' 58' ' ' ASP . 7.2 t30 148.51 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.584 1.177 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.635 ' HA2' ' HB1' ' A' ' 57' ' ' ALA . . . 121.15 -8.1 10.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 0.5 OUTLIER -75.9 134.81 40.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 0.783 . . . . 0.0 109.979 -179.978 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.864 ' HB3' ' O ' ' A' ' 23' ' ' GLY . . . -81.62 161.78 23.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.511 ' O ' ' HB ' ' A' ' 65' ' ' THR . 98.3 p -163.25 117.36 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.956 ' CG2' HG21 ' A' ' 55' ' ' VAL . 3.1 t 177.46 -128.68 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.402 -179.974 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.566 ' N ' ' OG1' ' A' ' 65' ' ' THR . 23.5 m -151.76 135.68 16.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.0 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.769 HD22 HG21 ' A' ' 21' ' ' VAL . 6.6 mp -118.1 136.09 53.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.227 -179.952 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.609 ' HB ' HG22 ' A' ' 18' ' ' VAL . 8.8 t -80.65 105.34 11.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.398 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.199 HG12 ' CE2' ' A' ' 112' ' ' PHE . 2.9 t -77.04 63.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.65 ' HA ' ' N ' ' A' ' 16' ' ' GLY . 0.0 OUTLIER -49.57 126.52 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 179.985 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.59 ' HA ' ' CD2' ' A' ' 112' ' ' PHE . 10.6 ttm180 -67.01 -76.26 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.461 ' HA ' ' N ' ' A' ' 87' ' ' ASP . 16.5 p -57.3 118.32 4.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 179.953 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.769 ' CZ ' ' HB2' ' A' ' 48' ' ' ASN . 6.9 t80 -119.06 138.81 52.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.508 ' HA ' ' HA3' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -148.26 68.09 1.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.02 -161.15 28.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.573 1.171 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.662 ' CE1' ' HA ' ' A' ' 81' ' ' THR . 5.8 t80 -129.49 152.0 49.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.918 HD12 ' CZ2' ' A' ' 83' ' ' TRP . 1.6 mt -60.56 -53.54 56.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.608 ' CD2' ' O ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER 156.31 -16.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.971 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 170.36 39.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -134.81 -53.17 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.523 1.139 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.662 ' HA ' ' CE1' ' A' ' 76' ' ' PHE . 0.6 OUTLIER 173.28 171.14 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.78 . . . . 0.0 110.392 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.612 ' C ' ' CG ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -95.6 168.99 10.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.95 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.918 ' CZ2' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -171.8 -82.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.13 . . . . 0.0 108.047 -179.982 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.634 ' O ' ' HB3' ' A' ' 73' ' ' PHE . . . 70.01 0.79 29.49 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.597 HG21 ' HB3' ' A' ' 91' ' ' ALA . 12.0 t 37.55 29.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.783 HG13 ' N ' ' A' ' 87' ' ' ASP . 5.1 p 31.03 -139.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.783 ' N ' HG13 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -22.75 94.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.753 ' O ' ' N ' ' A' ' 92' ' ' ALA . 19.9 m -41.59 -44.94 3.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 0.0 108.342 -179.996 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.713 HG21 ' C ' ' A' ' 113' ' ' ASN . 0.2 OUTLIER -39.18 -27.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 179.967 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 88' ' ' CYS . 4.8 m -67.64 -28.59 67.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.778 ' O ' ' HB3' ' A' ' 92' ' ' ALA . . . -135.82 -40.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.778 ' HB3' ' O ' ' A' ' 91' ' ' ALA . . . 94.12 67.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 37' ' ' CYS . 1.8 m -52.36 -176.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 108.364 179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.618 ' NE2' ' HE1' ' A' ' 39' ' ' TRP . 17.8 pm0 -131.26 156.07 46.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.573 HG23 ' HG2' ' A' ' 36' ' ' GLN . 3.3 p -132.18 128.01 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.24 -179.96 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -140.92 -170.83 12.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.731 HD21 HG12 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -109.5 156.0 20.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 109.304 179.988 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 32' ' ' TYR . 1.2 t -137.02 157.56 46.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.99 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.415 ' OD1' ' HB2' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -100.08 -174.36 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.19 3.43 15.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.06 -13.59 15.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.97 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . 69.24 34.04 74.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' A' ' 102' ' ' GLY . 2.1 m-80 -51.8 -173.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.1 140.77 43.98 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -90.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 60.4 51.7 5.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 -179.954 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.28 -102.48 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.43 1.081 . . . . 0.0 111.039 179.931 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.439 HG11 ' H ' ' A' ' 7' ' ' VAL . 4.9 p -169.05 134.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -72.5 113.61 9.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 1.003 HG21 HG11 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -103.5 154.28 5.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.534 ' O ' ' N ' ' A' ' 12' ' ' GLY . 59.3 m -94.1 100.17 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.043 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 1.199 ' CE2' HG12 ' A' ' 69' ' ' VAL . 32.9 m-85 -86.37 171.49 11.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.94 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.713 ' C ' HG21 ' A' ' 89' ' ' THR . 40.3 t30 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 stop_ save_